NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7030 8.4249 119.2240 53.0666 40.0663 174.9503 12 L 4.2330 8.8088 116.2033 52.3901 42.9008 174.8596 13 Y 4.7833 8.6940 121.1899 56.2144 40.7040 175.4414 14 F 4.1444 7.5071 120.6431 57.8794 40.0414 175.6240 15 Q 4.8132 8.8655 122.9159 54.1417 30.9218 175.4948 16 S 4.4884 8.6357 114.1121 59.3797 63.7564 173.5033 17 M 5.1300 8.5484 119.9138 53.7601 36.0482 174.3516 18 E 4.8824 8.9443 119.2019 54.7223 33.2850 175.1249 19 A 5.1433 8.3451 122.8392 50.6175 22.6701 175.6319 20 R 4.6388 8.9690 118.8476 54.3240 35.0612 174.9986 21 V 4.5018 8.5038 122.7645 62.9312 31.2110 176.0408 22 V 4.1525 8.5145 121.7507 61.7631 32.7719 176.1938 23 G 4.2276 7.5006 105.6990 48.0863 0.0000 172.0502 24 S 5.1736 8.6216 113.0056 58.0909 65.4375 174.5496 25 E 4.6676 8.6986 117.6254 55.0951 33.2245 174.2712 26 L 4.7402 8.3081 122.3615 54.0245 43.5691 175.6504 27 V 4.1131 8.5665 125.3077 64.1238 33.9937 175.9125 28 D 4.5404 8.4997 114.5403 54.7073 41.1568 176.9769 29 T 4.0963 9.0848 122.7558 65.1284 70.5399 174.2007 30 Y 5.0585 7.3910 117.0195 55.8272 40.4130 175.5486 31 T 4.0279 8.7666 121.5894 63.8914 69.2559 173.7320 32 V 4.4270 8.8177 126.2622 61.3924 34.1276 173.8634 33 Y 4.7983 9.3816 125.7757 56.7214 40.5063 174.6309 34 I 4.7799 8.6961 124.3411 59.9859 39.3947 174.5893 35 I 4.9574 8.8881 129.1586 59.4874 39.7098 174.6336 36 Q 4.6129 9.1593 129.6456 55.2057 30.3609 174.5761 37 V 4.5545 8.5779 126.1843 61.1667 35.0047 174.0191 38 T 4.9507 8.6933 120.0834 59.1391 70.9846 173.6127 39 D 5.0419 9.2019 125.5035 52.9774 39.9478 176.3591 40 G 4.1472 8.3889 110.0266 45.9925 0.0000 175.4584 41 S 4.3924 8.2215 114.0893 60.4495 63.8456 173.7160 42 H 5.1648 9.0718 115.6310 53.8798 32.5909 171.4879 43 E 5.1946 8.7730 121.0746 54.4730 32.3977 174.4800 44 W 5.3583 8.6040 122.5632 55.9037 32.3075 172.9432 45 T 5.2255 8.6687 109.4350 60.1517 70.8914 173.7787 46 V 4.5376 8.7791 116.0199 59.5828 36.0256 174.4534 47 K 5.7913 8.5823 121.5108 54.6229 34.7788 175.0643 48 H 5.4484 8.8344 119.9797 54.5321 33.8040 173.0601 49 R 4.9548 9.8205 121.6539 55.3367 32.0476 177.1559 50 Y 4.6176 9.1129 118.3363 61.9622 37.7813 179.5432 51 S 4.2097 8.2071 114.2434 61.5970 63.0215 176.1273 52 D 4.5189 8.1104 122.0287 57.2935 40.6532 178.5327 53 F 3.9709 8.4836 118.0643 60.7221 38.7937 177.5121 54 H 4.1124 8.7151 116.3135 58.8055 28.5304 177.4072 55 D 4.3779 8.5964 121.1340 57.3481 40.7407 178.4071 56 L 3.8128 7.8943 120.5810 58.5512 41.8679 178.3942 57 H 4.1430 8.5838 118.1274 59.5839 29.8266 176.9815 58 E 3.9325 8.5598 120.5930 59.2622 29.0916 179.4027 59 K 3.9553 8.1469 119.7204 59.4409 32.3019 178.9993 60 L 3.9962 8.0029 119.3717 57.5667 41.4423 179.6342 61 V 3.5232 8.0492 118.3264 66.0614 31.3056 178.0010 62 A 4.0265 7.7887 119.0089 54.6495 18.1616 178.3435 63 E 4.3842 7.6951 114.8943 55.1652 30.2406 176.4020 64 R 3.8409 7.8548 116.5571 57.5082 28.2509 177.2092 65 K 4.5204 8.2372 116.8403 56.7073 33.7523 176.8985 66 I 4.6230 7.4789 112.2297 58.9882 40.9314 175.1185 67 D 4.5289 8.4167 122.0268 53.3612 40.2080 178.6952 68 K 4.2714 8.7150 126.6325 57.0673 32.1726 177.7855 69 N 4.5281 8.2449 113.7376 55.8172 37.6683 180.8573 70 L 4.2326 7.2982 119.3295 54.7167 42.6231 176.1717 71 L 4.6440 8.1602 124.7232 52.0653 45.4556 174.5175 72 P 3.1329 0.0000 0.0000 60.5561 32.1887 174.2466 73 P 3.8820 0.0000 0.0000 62.8821 31.4618 177.4666 74 K 3.7918 8.6042 126.3227 55.2539 32.0094 174.9090 75 K 4.3514 8.4170 125.0909 53.6231 32.2045 174.7046 76 I 3.9412 8.5482 125.1742 60.4961 37.4906 175.7410 77 I 4.0077 8.3831 127.0683 62.1502 37.7600 176.3183 78 G 3.7826 8.8163 116.9457 44.6970 0.0000 172.5268 *79 K 4.1826 8.3241 124.1743 55.3057 32.2008 173.5493 80 N 4.7201 8.0920 123.5336 52.2795 39.1636 174.8009 81 S 4.6769 8.3431 116.0914 56.3340 66.5050 174.7886 82 R 4.1845 8.5700 121.9899 55.7005 28.0666 175.3298 83 S 4.5901 8.1350 115.2808 57.5588 65.8176 174.3374 84 L 3.6938 8.6746 119.0171 55.4261 39.5442 177.4861 85 V 3.5964 8.0129 117.4942 66.2007 31.5675 175.9989 86 E 4.0121 8.3895 120.7963 60.1136 29.3586 179.5203 87 K 4.0570 8.0162 122.9100 59.8955 31.8786 181.0044 88 R 4.2174 8.4203 119.8425 59.0298 29.7274 179.0645 89 E 4.1567 8.8479 121.2231 60.0106 29.4723 180.1488 90 K 4.0222 8.1349 123.5869 59.9114 31.7707 180.4837 91 D 4.5160 8.3287 120.7926 57.1979 40.6887 178.7847 92 L 3.6590 7.7758 120.6374 58.0045 41.8713 178.6883 93 E 3.9101 8.1595 119.3023 59.0499 29.5797 178.7438 94 V 3.5411 8.0913 118.7875 66.2009 31.5820 177.3378 95 Y 3.9628 7.9076 119.0146 60.6978 38.6614 177.7794 96 L 3.7909 8.1920 121.4503 58.3136 42.1861 178.9625 97 Q 4.0515 8.3978 118.1253 58.4672 28.3763 178.7070 98 K 3.8820 7.6608 119.2464 59.1145 32.1852 178.8034 99 L 3.9586 7.5156 119.2466 58.0056 41.5945 179.7648 100 L 4.1094 7.8875 118.4204 57.6912 41.3484 179.3422 101 A 4.0654 7.9695 119.2614 54.3228 18.3566 178.9235 102 A 3.8534 7.2175 118.2249 53.1360 19.4814 177.5386 103 F 4.9613 7.5862 115.5508 55.1536 39.3545 172.8888 104 P 4.4248 0.0000 0.0000 63.7366 32.0314 176.2921 105 G 4.4121 9.6714 112.5159 45.3105 0.0000 173.7428 106 V 4.9326 7.1717 111.7093 59.8944 35.4249 175.2725 107 T 4.5062 9.0843 122.8878 61.1602 70.1302 173.1968 108 P 4.0747 0.0000 0.0000 62.4271 32.2516 177.1032 109 R 3.4400 8.8827 123.9184 59.8472 29.8347 179.1912 110 V 3.5698 7.5150 118.0258 64.6144 31.4392 177.9781 111 L 3.8909 7.6185 120.3305 57.7439 41.8185 178.5320 112 A 3.9128 7.5906 119.8962 55.1903 18.2894 178.8786 113 H 4.3065 8.2142 116.8431 59.4065 28.8378 177.0290 114 F 4.0911 8.2910 122.5328 61.6055 38.9116 176.9274 115 L 4.2188 7.9428 116.4963 57.0179 41.6133 178.1080 116 H 4.3607 7.7295 114.9286 55.4146 29.5567 175.2997 117 F 4.8274 6.8085 118.2268 55.2212 42.3365 174.7120 118 H 4.1128 8.1685 121.2625 55.3755 29.0030 176.6427 119 F 4.2544 8.3630 117.5972 59.9678 37.5593 175.9349 120 Y 4.2732 5.9685 116.1120 56.9643 38.4457 175.0751 121 E 4.1931 7.4326 125.8790 56.7732 29.6262 175.9005 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 11 N 8.42 4.70 0.00 2.73 2.71 0.00 0.00 7.02 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 12 L 8.81 4.23 0.00 1.79 1.62 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.69 4.78 0.00 2.91 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 14 F 7.51 4.14 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.87 4.81 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 16 S 8.64 4.49 0.00 3.91 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 17 M 8.55 5.13 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 18 E 8.94 4.88 0.00 1.81 1.74 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 2.18 2.20 0.00 19 A 8.35 5.14 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 20 R 8.97 4.64 0.00 1.68 1.77 0.00 3.12 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 21 V 8.50 4.50 2.15 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 0.98 0.00 0.00 1.02 0.00 0.00 22 V 8.51 4.15 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 0.71 0.00 0.00 1.04 0.00 0.00 23 G 7.50 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 0.00 0.00 0.00 0.00 24 S 8.62 5.17 0.00 3.27 3.48 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 25 E 8.70 4.67 0.00 1.98 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 2.19 2.26 0.00 26 L 8.31 4.74 0.00 1.50 1.52 0.94 0.91 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 27 V 8.57 4.11 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 0.87 0.00 0.00 0.94 0.00 0.00 28 D 8.50 4.54 0.00 2.69 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.08 4.10 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 0.62 0.00 0.00 30 Y 7.39 5.06 0.00 2.91 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 31 T 8.77 4.03 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 0.54 0.00 0.00 32 V 8.82 4.43 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 1.31 0.00 0.00 1.09 0.00 0.00 33 Y 9.38 4.80 0.00 3.36 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 34 I 8.70 4.78 1.95 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 0.85 0.98 0.00 0.00 35 I 8.89 4.96 1.95 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.33 1.06 0.00 0.00 36 Q 9.16 4.61 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 37 V 8.58 4.55 0.67 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 0.36 0.00 0.00 0.73 0.00 0.00 38 T 8.69 4.95 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 1.11 0.00 0.00 39 D 9.20 5.04 0.00 2.96 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 40 G 8.39 4.15 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 0.00 0.00 0.00 41 S 8.22 4.39 0.00 4.10 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 9.07 5.16 0.00 3.48 3.39 0.00 5.55 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.77 5.19 0.00 1.94 1.82 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 2.10 2.26 0.00 44 W 8.60 5.36 0.00 3.32 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 45 T 8.67 5.23 4.31 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 1.23 0.00 0.00 46 V 8.78 4.54 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 0.78 0.00 0.00 0.94 0.00 0.00 47 K 8.58 5.79 0.00 1.82 1.99 0.00 2.07 0.00 0.00 1.98 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.40 7.81 48 H 8.83 5.45 0.00 3.12 3.12 0.00 5.60 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 49 R 9.82 4.95 0.00 1.60 1.77 0.00 2.78 0.00 0.00 2.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.00 50 Y 9.11 4.62 0.00 2.99 3.05 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 0.00 0.00 0.00 51 S 8.21 4.21 0.00 3.99 4.01 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 52 D 8.11 4.52 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.48 3.97 0.00 3.22 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 54 H 8.72 4.11 0.00 3.32 3.35 0.00 5.63 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 55 D 8.60 4.38 0.00 2.83 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 56 L 7.89 3.81 0.00 1.33 1.56 0.69 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.58 4.14 0.00 3.39 3.45 0.00 5.84 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 58 E 8.56 3.93 0.00 2.27 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 2.33 2.19 0.00 59 K 8.15 3.96 0.00 1.92 1.90 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.46 7.81 60 L 8.00 4.00 0.00 1.88 1.75 0.93 0.52 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 61 V 8.05 3.52 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 1.06 0.00 0.00 0.77 0.00 0.00 62 A 7.79 4.03 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 63 E 7.70 4.38 0.00 1.89 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 0.00 2.29 2.43 0.00 64 R 7.85 3.84 0.00 2.19 1.99 0.00 3.25 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 65 K 8.24 4.52 0.00 1.99 2.18 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.55 7.81 66 I 7.48 4.62 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.94 0.00 0.00 67 D 8.42 4.53 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 68 K 8.71 4.27 0.00 1.77 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.01 7.81 69 N 8.24 4.53 0.00 2.73 2.76 0.00 0.00 6.65 7.79 0.00 0.00 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 L 7.30 4.23 0.00 1.64 1.66 0.99 0.82 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 71 L 8.16 4.64 0.00 1.53 1.33 0.89 1.13 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 72 P 0.00 3.13 0.00 1.25 0.78 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.37 0.00 73 P 0.00 3.88 0.00 0.83 1.60 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.70 0.00 74 K 8.60 3.79 0.00 1.77 1.63 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.03 7.81 75 K 8.42 4.35 0.00 1.77 1.64 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.03 7.81 76 I 8.55 3.94 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.95 0.00 0.00 77 I 8.38 4.01 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 0.93 0.00 0.00 78 G 8.82 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 *79 K 8.32 4.18 0.00 1.56 1.63 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.66 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.04 7.81 80 N 8.09 4.72 0.00 2.53 2.71 0.00 0.00 6.83 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 81 S 8.34 4.68 0.00 3.80 3.77 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 82 R 8.57 4.18 0.00 1.74 1.89 0.00 3.26 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 83 S 8.13 4.59 0.00 3.97 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 84 L 8.67 3.69 0.00 1.87 1.77 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.01 3.60 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 1.17 0.00 0.00 0.92 0.00 0.00 86 E 8.39 4.01 0.00 2.09 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 2.40 2.41 0.00 87 K 8.02 4.06 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.10 7.81 88 R 8.42 4.22 0.00 2.07 2.29 0.00 3.31 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 89 E 8.85 4.16 0.00 2.28 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 2.67 2.69 0.00 90 K 8.13 4.02 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 91 D 8.33 4.52 0.00 2.81 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 92 L 7.78 3.66 0.00 1.44 1.54 -0.27 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.16 3.91 0.00 2.19 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 0.00 2.31 2.33 0.00 94 V 8.09 3.54 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 0.93 0.00 0.00 0.99 0.00 0.00 95 Y 7.91 3.96 0.00 3.00 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 96 L 8.19 3.79 0.00 2.07 1.84 1.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.40 4.05 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 98 K 7.66 3.88 0.00 1.74 1.73 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.57 7.81 99 L 7.52 3.96 0.00 1.72 1.66 0.79 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.89 4.11 0.00 1.83 1.73 0.97 0.94 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 0.00 101 A 7.97 4.07 1.26 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 0.00 102 A 7.22 3.85 0.61 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 0.00 0.00 0.00 103 F 7.59 4.96 0.00 3.08 3.11 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 0.00 104 P 0.00 4.42 0.00 2.05 1.99 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 105 G 9.67 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 0.00 106 V 7.17 4.93 2.13 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 0.76 0.00 0.00 1.05 0.00 0.00 107 T 9.08 4.51 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 1.10 0.00 0.00 108 P 0.00 4.07 0.00 1.64 1.58 0.00 3.06 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 0.49 0.83 0.00 109 R 8.88 3.44 0.00 1.87 1.90 0.00 3.26 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 110 V 7.51 3.57 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 0.63 0.00 0.00 0.89 0.00 0.00 111 L 7.62 3.89 0.00 1.59 1.64 0.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.59 3.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.21 4.31 0.00 3.29 3.48 0.00 5.61 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 0.00 114 F 8.29 4.09 0.00 3.22 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 0.00 115 L 7.94 4.22 0.00 1.90 1.79 0.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.73 4.36 0.00 2.70 2.01 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 6.81 4.83 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.17 4.11 0.00 2.00 1.99 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.36 4.25 0.00 3.35 3.27 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 0.00 120 Y 5.97 4.27 0.00 2.78 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 0.00 121 E 7.43 4.19 0.00 2.05 1.83 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 2.34 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.