NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.3692 8.3231 115.4122 58.2850 64.2053 171.8796 30 G 3.7109 8.3360 109.6563 44.4086 0.0000 171.2086 31 I 3.5666 8.4474 120.4079 61.7235 38.0524 174.0190 32 S 4.6134 8.5362 120.5178 56.6637 63.1549 173.3785 33 L 4.0424 8.6217 128.0974 57.5163 42.4394 176.9039 34 D 4.2910 7.8603 113.0853 55.2501 38.3355 173.3405 35 N 4.7130 7.8965 114.7306 53.3873 40.0648 175.8713 36 S 4.7018 7.4636 111.7814 55.8525 66.0541 173.4648 37 Y 4.2368 8.3311 119.7654 57.8691 38.1817 176.1628 38 K 4.1405 8.9137 125.0249 57.2986 32.1325 176.0681 39 M 4.8446 8.7725 125.7054 55.2902 32.5063 175.8198 40 D 4.9128 7.9108 116.5434 53.2701 39.9142 176.0811 41 Y 4.1826 7.7027 116.7878 57.8213 38.5336 174.1309 42 P 4.4875 0.0000 0.0000 65.4478 31.9088 176.7257 43 E 4.7169 8.4395 117.2989 54.5972 32.8301 177.5666 44 M 3.7600 8.4374 122.3151 58.4643 33.4203 175.7079 45 G 4.5776 7.8153 102.2500 43.7565 0.0000 172.3500 46 L 4.7470 8.5396 119.0672 54.7685 43.3968 176.3531 47 C 4.3745 8.9311 122.2131 57.4161 33.2829 171.5091 48 I 4.4175 8.3803 126.4960 60.3061 38.4182 174.7126 49 I 4.5655 8.9027 129.0621 59.6489 39.5747 174.9739 50 I 4.6172 8.6961 129.7465 59.9731 38.7105 174.7910 51 N 4.8293 9.6611 129.1680 52.1200 39.7237 173.1841 52 N 4.8421 8.7178 124.5037 52.0813 38.9582 174.5367 53 K 4.2968 9.5275 125.4588 57.4181 33.6534 175.6887 54 N 5.1917 8.1814 115.2548 51.5971 39.7399 174.3985 55 F 4.7370 8.6635 121.6463 55.5070 41.6145 175.3425 56 H 4.4405 9.0289 120.9252 55.6018 29.2447 176.8902 57 K 3.8999 8.9849 124.7701 59.7747 31.6440 178.7176 58 S 4.3219 8.1339 112.7843 60.5296 63.0404 175.3916 59 T 4.2763 8.1750 112.9678 61.5891 69.1824 175.9267 60 G 3.8748 7.8435 108.8746 45.8537 0.0000 173.6175 61 M 4.0438 7.4827 118.8859 54.6979 32.7160 176.0820 62 T 4.4999 7.7476 111.9123 59.8811 70.9991 174.5027 63 S 5.3611 8.2617 115.9543 58.0132 64.1290 175.1382 64 R 4.4238 8.3520 122.8952 54.3091 28.6216 175.2349 65 S 4.3104 7.9620 115.3674 59.5852 63.8730 175.7105 66 G 4.0217 8.9216 111.5459 45.8742 0.0000 175.3540 67 T 3.8875 7.7687 113.4771 65.1915 67.1482 175.8109 68 D 4.3422 8.0738 120.5534 57.0154 40.8462 178.6428 69 V 3.5906 7.6289 119.1333 65.8780 31.4169 177.8242 70 D 4.3189 7.9804 117.9502 57.3627 40.8202 178.4077 71 A 3.9592 8.2273 121.1393 55.2667 18.4954 179.6097 72 A 4.0172 8.2752 119.2858 54.9662 18.3590 179.4604 73 N 4.2875 8.1548 116.0045 56.7974 38.9656 177.2335 74 L 4.0873 8.2771 120.8018 57.5861 41.6861 179.3681 75 R 3.9159 8.1175 118.6865 59.4909 30.0557 178.1232 76 E 3.9411 8.0756 118.7805 59.5962 29.3528 178.8978 77 T 3.7450 8.0332 115.6755 66.8082 68.5576 176.6872 78 F 4.0439 8.5129 119.3428 59.7494 38.9504 177.9147 79 R 4.0172 8.1741 119.1596 59.3585 29.7222 177.7052 80 N 4.6405 7.9302 113.6534 54.5931 38.7656 176.1411 81 L 4.4847 7.1681 119.2898 53.7387 42.2312 176.3748 82 K 3.9485 7.8329 117.3042 57.6106 29.6620 175.4772 83 Y 4.4111 8.0531 115.6081 57.0429 39.5682 176.1186 84 E 4.2960 9.0298 124.6793 55.4839 29.7330 174.8354 85 V 4.3443 8.1923 126.3109 62.3321 32.9347 175.1282 86 R 4.5835 8.9380 126.3092 54.5309 33.3084 173.6920 87 N 5.3241 8.8368 122.9221 51.9763 40.9565 174.1174 88 K 4.6804 9.2783 124.3507 54.7446 36.0272 174.8813 89 N 5.2377 8.8321 121.5700 52.2452 41.0704 174.6433 90 D 4.1750 8.1455 119.1033 55.3453 38.8193 173.2103 91 L 4.7310 8.5733 121.1309 53.3577 44.0323 177.2936 92 T 4.8328 9.5505 115.1589 60.1221 71.2776 176.1031 93 R 3.9359 9.2640 119.0341 59.6619 29.0841 178.9480 94 E 3.9575 8.1082 118.5885 59.2941 29.5435 178.9492 95 E 3.9861 8.1189 118.3129 59.3426 29.4217 179.5866 96 I 3.7277 8.0557 120.0897 64.4845 37.2322 178.6379 97 V 3.7702 7.8182 119.0729 66.0415 31.2582 177.6920 98 E 3.8609 8.6076 119.5489 58.8527 29.3603 178.5341 99 L 3.8952 8.2327 120.7681 58.5480 42.2516 178.8495 100 M 4.2033 8.1786 118.6440 58.3276 31.6780 178.8523 101 R 2.5100 7.2220 117.6687 58.9052 30.6086 177.8404 102 D 4.3746 7.9230 118.8467 57.5086 40.8602 179.0977 103 V 3.6131 7.9685 119.0058 66.0798 31.3319 178.1948 104 S 3.7154 7.6676 112.6896 60.6225 62.6208 175.5933 105 K 4.2698 7.1558 119.2819 55.4830 32.1671 176.5604 106 E 4.0859 7.4099 119.8099 55.6913 30.2038 176.0166 107 D 4.5453 8.2342 119.9993 53.8745 40.8411 175.1204 108 H 4.7416 8.5408 123.3075 55.6886 29.1794 177.3012 109 S 4.0610 8.7117 118.6504 61.9054 62.8086 176.0487 110 K 4.4369 8.0136 116.3955 56.9197 32.3392 176.1475 111 R 4.9704 7.7460 119.0726 55.0631 31.0413 176.9470 112 S 4.3096 8.7957 119.1948 61.3027 64.1553 173.8267 113 S 4.6504 8.1109 112.5532 57.7009 66.6193 172.8501 114 F 5.1339 8.7470 120.7542 56.8812 42.7992 173.8405 115 V 4.0340 7.8588 125.5414 60.7830 34.7857 173.7252 116 C 4.5776 7.8390 126.7973 57.4821 34.7623 172.3844 117 V 4.6726 8.8797 126.7478 61.0221 33.7320 174.1097 118 L 4.8988 8.9772 127.9887 53.0878 44.4371 175.5211 119 L 4.9576 8.2063 125.3077 53.9887 43.7431 175.7687 120 S 4.8781 8.2771 118.3402 58.2770 67.3807 174.9728 121 H 4.6773 8.7551 117.2763 56.0093 30.0600 174.9283 122 G 4.4055 8.2265 106.0063 46.7655 0.0000 171.1663 123 E 4.9724 8.2982 118.3793 54.2949 34.8076 174.8288 124 E 3.9218 8.9102 121.1460 58.0870 29.8455 176.5791 125 G 3.9700 9.0458 112.8143 46.0819 0.0000 172.1532 126 I 4.9934 7.9851 119.7910 59.1218 41.5826 174.1688 127 I 4.7938 8.7421 126.0625 59.1625 41.2017 173.9679 128 F 4.9780 9.0647 128.5040 56.7024 39.4607 176.4522 129 G 4.0551 10.0162 114.6293 44.5313 0.0000 174.4129 130 T 3.8938 8.7339 109.3890 63.3664 68.6823 175.3300 131 N 5.0224 8.3361 116.7291 51.3223 38.4162 173.9259 132 G 4.2200 7.2254 109.3400 44.8058 0.0000 170.6371 133 P 4.3456 0.0000 0.0000 62.5599 32.6800 175.9363 134 V 4.4140 8.6188 120.1839 61.2246 35.2882 173.9547 135 D 4.7819 8.7175 127.9393 54.2203 41.4419 177.3171 136 L 3.9206 8.8374 124.0605 57.8593 41.6843 179.5729 137 K 3.6927 8.0443 118.9627 59.6191 31.7236 178.4768 138 K 3.7835 7.5995 118.7044 59.2459 31.9559 178.7373 139 I 4.1681 7.5295 120.0429 64.6396 37.3139 178.2020 140 T 3.8369 8.1104 110.2745 64.2172 68.7293 176.5235 141 N 4.3246 8.0948 119.7424 56.0912 38.1996 177.0837 142 F 4.2772 7.2918 118.3092 59.7214 38.9285 176.0022 143 F 4.6783 7.7324 114.5565 56.8785 39.4429 176.2239 144 R 4.0720 7.9412 121.5120 56.1783 30.4313 177.8912 145 G 4.1078 8.7804 110.6923 48.6307 0.0000 173.9751 146 D 4.6588 8.0034 116.3275 53.5999 40.2494 176.9561 147 R 4.4152 8.3185 118.2902 56.6832 31.6592 176.0160 148 C 4.7106 7.5165 117.5431 56.6256 31.7659 173.8323 149 R 4.5193 8.4588 123.1488 58.2003 30.1517 178.8535 150 S 4.3749 8.0782 109.8831 59.6813 63.2547 174.2857 151 L 4.5497 7.8137 120.5030 54.5494 43.0225 176.4609 152 T 3.9931 7.5824 117.3707 65.2042 68.6633 175.2175 153 G 4.0818 9.0903 113.6507 45.4142 0.0000 173.0232 154 K 4.5150 7.8602 119.0734 53.2060 34.7618 174.2179 155 P 4.0347 0.0000 0.0000 62.8520 32.2858 175.0650 156 K 4.6074 8.7161 123.9717 54.7313 34.0214 175.1847 157 L 4.6878 8.9229 126.3432 52.9754 44.0101 176.0364 158 F 4.8058 8.7759 121.2998 55.8151 41.8060 174.3531 159 I 4.3245 8.4445 125.9991 59.9367 38.7752 175.1849 160 I 4.7677 8.4032 127.5936 59.7074 39.9075 175.2895 161 Q 4.4676 8.8498 130.6429 55.2715 29.4274 174.0469 162 A 4.8715 7.8605 125.1023 51.5956 21.8241 175.4867 163 C 4.3346 8.9878 117.2770 59.8257 29.0288 174.0022 164 R 4.5794 9.5555 118.7251 54.2751 31.2965 176.4019 165 G 3.9317 6.8932 105.2451 46.1760 0.0000 173.3595 166 T 4.5874 8.0109 112.5191 61.2635 69.2459 173.6352 167 E 4.3117 8.1066 120.7089 56.3049 30.3979 175.8335 168 L 4.6801 8.2265 121.3337 52.8953 44.2988 175.5103 169 D 4.7105 8.5245 122.5119 53.1775 41.7228 175.9656 170 C 4.1520 8.7758 124.1723 59.7428 28.7035 174.8638 171 G 3.9788 8.5515 110.5409 44.5985 0.0000 172.5203 172 I 4.5917 7.7174 116.8362 58.7168 40.9971 174.0681 173 E 4.0443 8.7971 128.0374 56.3048 30.0219 175.8961 174 T 4.4439 8.2341 117.6707 60.3323 71.7646 174.4518 *175 D 4.4254 8.4382 118.9376 53.5541 40.5341 172.5164 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 29 S 8.32 4.37 0.00 3.99 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 30 G 8.34 3.71 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 0.00 0.00 0.00 31 I 8.45 3.57 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 0.91 0.00 0.00 32 S 8.54 4.61 0.00 3.80 3.76 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 33 L 8.62 4.04 0.00 1.66 1.68 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.86 4.29 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.90 4.71 0.00 2.72 2.80 0.00 0.00 6.98 7.57 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 36 S 7.46 4.70 0.00 3.95 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 37 Y 8.33 4.24 0.00 3.07 2.93 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 38 K 8.91 4.14 0.00 1.79 1.97 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 39 M 8.77 4.84 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 40 D 7.91 4.91 0.00 2.73 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 41 Y 7.70 4.18 0.00 3.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.49 0.00 1.99 2.17 0.00 4.08 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 2.19 0.00 43 E 8.44 4.72 0.00 1.88 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 2.20 2.25 0.00 44 M 8.44 3.76 0.00 0.68 1.75 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.31 0.00 45 G 7.82 4.58 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 0.00 0.00 0.00 46 L 8.54 4.75 0.00 1.95 1.72 1.15 0.74 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 47 C 8.93 4.37 0.00 2.46 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 48 I 8.38 4.42 1.74 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.18 0.93 0.00 0.00 49 I 8.90 4.57 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.47 0.93 0.00 0.00 50 I 8.70 4.62 1.89 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 1.13 0.70 0.92 0.00 0.00 51 N 9.66 4.83 0.00 2.77 2.91 0.00 0.00 6.80 5.12 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 52 N 8.72 4.84 0.00 2.82 2.38 0.00 0.00 6.79 7.77 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 53 K 9.53 4.30 0.00 1.70 1.72 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.60 7.81 54 N 8.18 5.19 0.00 2.84 2.74 0.00 0.00 6.79 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.66 4.74 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 56 H 9.03 4.44 0.00 3.22 3.25 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 57 K 8.98 3.90 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.53 7.81 58 S 8.13 4.32 0.00 4.10 4.02 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 59 T 8.17 4.28 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 1.30 0.00 0.00 60 G 7.84 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 61 M 7.48 4.04 0.00 1.31 1.67 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.93 0.00 62 T 7.75 4.50 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 1.17 0.00 0.00 63 S 8.26 5.36 0.00 4.12 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 64 R 8.35 4.42 0.00 1.97 1.94 0.00 2.86 0.00 0.00 3.80 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 65 S 7.96 4.31 0.00 3.99 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 66 G 8.92 4.02 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 0.00 0.00 0.00 67 T 7.77 3.89 4.38 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 1.30 0.00 0.00 68 D 8.07 4.34 0.00 2.73 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 69 V 7.63 3.59 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 1.03 0.00 0.00 0.94 0.00 0.00 70 D 7.98 4.32 0.00 2.97 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 71 A 8.23 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.28 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.15 4.29 0.00 3.00 2.95 0.00 0.00 7.11 6.49 0.00 0.00 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 L 8.28 4.09 0.00 1.92 1.83 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.12 3.92 0.00 2.06 2.09 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 76 E 8.08 3.94 0.00 2.16 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 2.30 2.39 0.00 77 T 8.03 3.75 4.19 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 0.84 0.00 0.00 78 F 8.51 4.04 0.00 3.16 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 79 R 8.17 4.02 0.00 2.05 2.19 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 80 N 7.93 4.64 0.00 2.84 2.84 0.00 0.00 7.01 8.97 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 81 L 7.17 4.48 0.00 2.04 1.98 0.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.83 3.95 0.00 1.87 1.93 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.52 7.81 83 Y 8.05 4.41 0.00 3.21 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 84 E 9.03 4.30 0.00 2.09 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 2.32 2.28 0.00 85 V 8.19 4.34 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 0.82 0.00 0.00 1.12 0.00 0.00 86 R 8.94 4.58 0.00 1.75 1.78 0.00 3.19 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 87 N 8.84 5.32 0.00 2.69 2.68 0.00 0.00 7.01 6.68 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 88 K 9.28 4.68 0.00 1.60 1.63 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.53 7.81 89 N 8.83 5.24 0.00 2.55 2.66 0.00 0.00 7.35 8.06 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 90 D 8.15 4.17 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.57 4.73 0.00 1.67 1.56 0.93 0.60 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 92 T 9.55 4.83 4.52 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 1.26 0.00 0.00 93 R 9.26 3.94 0.00 2.04 2.49 0.00 2.83 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 94 E 8.11 3.96 0.00 2.10 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 0.00 2.42 2.49 0.00 95 E 8.12 3.99 0.00 2.27 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 2.34 2.37 0.00 96 I 8.06 3.73 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.81 1.00 0.00 0.00 97 V 7.82 3.77 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.11 0.00 0.00 98 E 8.61 3.86 0.00 2.15 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 2.26 2.28 0.00 99 L 8.23 3.90 0.00 1.88 1.90 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 100 M 8.18 4.20 0.00 2.45 2.28 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 3.04 0.00 101 R 7.22 2.51 0.00 0.76 1.68 0.00 3.23 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 0.00 102 D 7.92 4.37 0.00 2.87 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 0.00 103 V 7.97 3.61 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 1.22 0.00 0.00 1.04 0.00 0.00 104 S 7.67 3.72 0.00 3.31 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 0.00 105 K 7.16 4.27 0.00 1.79 1.79 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 106 E 7.41 4.09 0.00 2.03 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 2.28 2.18 0.00 107 D 8.23 4.55 0.00 2.59 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 0.00 108 H 8.54 4.74 0.00 3.31 3.23 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.71 4.06 0.00 3.86 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 0.00 110 K 8.01 4.44 0.00 1.93 1.89 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.43 7.81 111 R 7.75 4.97 0.00 1.74 1.84 0.00 3.22 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 112 S 8.80 4.31 0.00 3.90 4.02 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 0.00 113 S 8.11 4.65 0.00 4.02 3.95 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 0.00 0.00 0.00 114 F 8.75 5.13 0.00 2.96 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 0.00 115 V 7.86 4.03 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 -0.09 0.00 0.00 0.24 0.00 0.00 116 C 7.84 4.58 0.00 2.14 1.51 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 0.00 117 V 8.88 4.67 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 0.96 0.00 0.00 0.60 0.00 0.00 118 L 8.98 4.90 0.00 1.64 1.60 1.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.21 4.96 0.00 1.61 1.61 0.98 0.67 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 0.00 120 S 8.28 4.88 0.00 4.01 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 0.00 121 H 8.76 4.68 0.00 2.96 2.98 0.00 5.72 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 0.00 122 G 8.23 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 0.00 123 E 8.30 4.97 0.00 1.91 1.86 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 2.37 2.49 0.00 124 E 8.91 3.92 0.00 2.08 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 2.29 2.37 0.00 125 G 9.05 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 0.00 126 I 7.99 4.99 1.82 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 1.10 1.15 0.37 0.00 0.00 127 I 8.74 4.79 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.16 1.01 0.00 0.00 128 F 9.06 4.98 0.00 3.35 3.20 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 0.00 129 G 10.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.73 3.89 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 0.98 0.00 0.00 131 N 8.34 5.02 0.00 2.85 2.72 0.00 0.00 5.90 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 0.00 132 G 7.23 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 0.00 133 P 0.00 4.35 0.00 1.75 1.33 0.00 3.82 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 1.94 1.95 0.00 134 V 8.62 4.41 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 0.93 0.00 0.00 0.96 0.00 0.00 135 D 8.72 4.78 0.00 2.62 2.51 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 0.00 136 L 8.84 3.92 0.00 1.63 1.64 0.90 0.72 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 0.00 137 K 8.04 3.69 0.00 1.79 1.74 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.49 7.81 138 K 7.60 3.78 0.00 1.73 1.93 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.27 7.81 139 I 7.53 4.17 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.76 1.26 0.00 0.00 140 T 8.11 3.84 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 0.23 0.00 0.00 141 N 8.09 4.32 0.00 2.48 2.69 0.00 0.00 6.83 7.73 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 0.00 142 F 7.29 4.28 0.00 2.83 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 7.73 4.68 0.00 3.23 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 0.00 144 R 7.94 4.07 0.00 1.99 2.00 0.00 3.20 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 145 G 8.78 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 0.00 146 D 8.00 4.66 0.00 2.79 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 0.00 147 R 8.32 4.42 0.00 1.84 2.00 0.00 3.32 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 148 C 7.52 4.71 0.00 2.97 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 0.00 149 R 8.46 4.52 0.00 1.88 1.98 0.00 3.78 0.00 0.00 3.50 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 150 S 8.08 4.37 0.00 3.97 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 0.00 151 L 7.81 4.55 0.00 1.88 1.70 0.76 0.63 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 0.00 152 T 7.58 3.99 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 1.25 0.00 0.00 153 G 9.09 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 0.00 154 K 7.86 4.52 0.00 1.84 1.74 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.16 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.46 7.81 155 P 0.00 4.03 0.00 1.85 1.18 0.00 3.49 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.56 0.00 156 K 8.72 4.61 0.00 1.79 2.03 0.00 1.97 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.69 7.81 157 L 8.92 4.69 0.00 1.25 1.45 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.78 4.81 0.00 2.81 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 0.00 159 I 8.44 4.32 1.80 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.04 0.93 0.00 0.00 160 I 8.40 4.77 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.95 0.00 0.00 161 Q 8.85 4.47 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 162 A 7.86 4.87 1.33 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 0.00 163 C 8.99 4.33 0.00 3.20 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 0.00 164 R 9.56 4.58 0.00 1.76 2.09 0.00 3.37 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 165 G 6.89 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 0.00 166 T 8.01 4.59 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 1.21 0.00 0.00 167 E 8.11 4.31 0.00 1.99 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 0.00 2.30 2.33 0.00 168 L 8.23 4.68 0.00 1.59 1.54 0.92 1.01 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 0.00 169 D 8.52 4.71 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 0.00 170 C 8.78 4.15 0.00 3.00 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 0.00 171 G 8.55 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 0.00 0.00 0.00 172 I 7.72 4.59 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.91 0.00 0.00 173 E 8.80 4.04 0.00 1.95 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 2.29 2.36 0.00 174 T 8.23 4.44 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 1.21 0.00 0.00 *175 D 8.44 4.43 0.00 2.47 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 * Residues marked with a * may have inaccurate shift predictions.