NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.5083 8.1844 122.4913 54.8695 43.3443 175.6097 3 E 4.5950 9.0026 126.7529 53.7408 33.6126 168.4661 4 V 4.5965 9.9873 128.9124 61.4741 33.8428 173.8305 5 I 4.7241 8.6635 129.5623 59.9892 39.1510 174.8448 6 I 4.9165 8.9333 127.2070 59.4575 40.7802 174.7558 7 K 5.3344 9.1228 124.5600 55.0535 36.9587 175.4519 8 A 5.0270 9.0485 125.1660 50.9136 22.8651 176.2800 9 K 4.7808 8.9214 122.5930 56.4712 34.7635 176.3172 10 V 4.6518 9.0930 120.4956 61.2126 34.4896 174.9975 11 K 4.2355 9.0703 127.0615 54.3124 33.7427 176.0089 12 P 4.1423 0.0000 0.0000 65.7168 31.2524 177.9375 13 T 4.1194 7.5241 105.7799 62.5658 69.4409 174.7044 14 E 4.1687 7.6483 121.9345 55.7189 30.6295 175.3473 15 D 4.7584 8.2255 119.9370 52.2645 42.1759 176.7846 16 K 4.0604 8.5512 127.8331 60.6845 32.0978 178.4052 17 Y 4.3836 7.9517 117.3873 60.5117 37.7252 178.2838 18 K 4.2392 8.3579 120.0059 59.4017 32.1426 179.5260 19 V 3.6822 7.8473 118.2244 65.6933 31.5245 177.8729 20 K 3.1100 7.9400 119.5479 59.0287 31.9465 178.7402 21 K 3.8513 8.3443 119.9266 59.1950 31.8345 178.5312 22 A 4.0369 7.9137 120.3514 55.2862 18.6709 179.3258 23 I 3.8800 7.6696 118.1265 64.7357 35.8388 178.8056 24 L 4.2132 8.0034 119.5767 57.7823 41.1259 179.2960 25 N 4.5090 8.0850 115.8097 55.6370 38.4430 176.4153 26 I 4.0459 6.9438 119.2778 60.8968 39.8651 176.0178 27 F 4.9504 7.8440 117.7388 54.5274 39.1803 173.3719 28 P 4.3216 0.0000 0.0000 65.1928 31.7159 177.7538 29 K 4.3240 7.9818 114.2935 56.1988 32.3756 176.4930 30 A 4.3704 7.9376 122.0937 51.9881 19.1377 177.7329 31 K 4.4744 8.8248 121.4518 54.9803 33.8535 175.3284 32 L 5.3148 8.6109 125.1875 53.0371 44.5143 176.2196 33 T 4.9024 9.3813 112.6483 59.9753 71.6217 172.6148 34 F 4.4820 8.9585 127.9385 56.8666 40.8099 174.6811 35 I 4.0562 7.3104 119.5911 58.7652 39.1275 174.8032 36 E 4.0480 8.3213 126.8006 56.2005 30.2737 176.2447 37 K 4.7022 8.1389 121.2986 54.6295 36.5032 175.7230 38 D 4.5265 8.5637 119.9824 55.2691 41.7175 175.9882 39 N 4.0441 8.9940 115.6554 55.6451 35.5703 174.2031 40 E 3.8833 8.3058 110.3530 57.3534 27.8360 175.2230 41 F 4.6393 7.7549 116.1152 57.1484 41.4065 175.1309 42 G 4.1183 8.6639 106.6837 46.6016 0.0000 171.5820 43 E 5.2139 7.2529 118.5366 54.9225 33.6143 174.0843 44 W 5.3553 9.8304 127.4108 55.5198 31.7485 175.1175 45 E 5.3523 9.2928 122.3869 55.0019 33.4180 174.9627 46 G 4.4877 8.9337 108.8678 45.8093 0.0000 171.9741 47 K 5.6557 8.0961 117.6699 54.6006 37.0179 175.3007 48 T 4.6934 8.0027 114.2283 61.6085 70.6018 173.7186 49 K 4.5909 8.7879 122.7111 55.8707 33.3817 175.8280 50 S 4.8143 8.2065 114.5999 56.6620 64.1090 174.1341 51 V 4.7133 8.1408 121.4067 60.9358 32.8660 177.9594 52 E 3.9471 8.0117 120.7077 59.4732 29.3278 178.7262 53 K 3.8190 7.9624 118.9300 59.4373 32.3468 178.0626 54 L 3.7902 7.8260 119.9892 58.2391 41.7618 178.9583 55 K 3.9629 8.0931 118.1096 59.3843 31.9278 178.8465 56 E 3.9043 8.4050 119.7935 59.4730 29.5791 178.9765 57 L 3.9715 8.3402 119.2975 57.6714 41.7308 179.4705 58 L 4.0250 8.0206 119.1038 57.5961 41.4442 179.5897 59 R 3.8419 7.7930 118.6047 59.7042 29.9889 178.6518 60 S 4.1048 8.1550 113.9179 61.2797 62.8964 175.9595 61 Q 4.2760 7.9665 118.1512 54.6858 29.9372 175.3026 62 S 3.8087 8.1540 115.5553 59.9932 60.6432 171.9733 63 I 4.7380 7.6285 107.3191 60.0014 38.7157 178.1931 64 L 3.9455 8.3062 123.6639 58.8128 41.2084 178.4703 65 D 4.2617 7.9976 117.3597 56.3980 39.4707 178.0443 66 A 4.0169 7.8915 120.4894 54.5781 18.7770 178.6714 67 A 3.5104 8.5305 119.5161 55.4244 18.3248 180.0527 68 R 3.6047 8.1279 114.5387 57.7517 30.7758 178.5621 *70 V 3.8435 7.7144 120.5902 62.8461 33.1457 177.6424 71 L 3.9492 7.8921 119.1207 57.6284 41.5568 178.3482 72 E 4.1301 8.2926 117.7400 58.7000 29.8397 178.2871 73 K 3.9200 8.1204 119.4097 58.8570 32.5280 176.9128 74 G 4.1943 8.0350 111.3292 43.4805 0.0000 172.1538 *76 T 4.4648 7.8749 119.5801 60.4983 69.7562 173.1105 77 E 3.7997 8.2979 118.3509 58.6154 29.5997 177.6833 78 N 4.9514 8.1227 119.2047 51.3852 39.5767 172.8944 79 A 4.6004 7.0440 117.6936 52.2677 22.6096 176.9193 80 T 5.0657 8.4729 113.1572 60.4426 71.1355 172.7505 81 K 4.9978 9.0783 125.9402 55.3195 36.2837 174.9941 82 F 5.0032 7.9831 116.5742 56.5934 42.1113 171.9784 83 Y 5.2602 9.1647 115.2570 56.2827 41.4864 175.0104 84 L 5.2190 8.8975 122.5065 52.7853 45.4663 175.3112 85 N 4.7738 9.2591 121.8410 53.2755 39.5447 175.6796 86 K 3.9661 9.0820 127.7921 59.9818 32.1402 178.5826 87 Q 4.0866 8.1929 116.5340 58.5227 29.0100 178.0212 88 A 4.1325 8.5260 121.8935 55.0596 18.4544 179.2452 89 A 4.0560 8.2034 119.5421 55.7630 18.1757 179.1880 90 Y 4.0394 7.9500 116.2320 59.7295 38.7475 177.1833 91 V 4.1294 7.8418 112.1737 60.9816 32.1006 176.2259 92 G 3.7551 8.2793 106.5226 45.8731 0.0000 173.7591 93 A 4.6132 7.6929 120.8868 49.8751 21.2567 176.9266 94 V 4.0075 7.7824 120.4031 61.1131 32.6385 175.1466 95 N 4.7712 7.9786 124.5715 52.0777 41.8335 174.1215 96 F 5.4618 8.5498 121.5963 57.1808 40.5966 176.1112 97 D 5.1296 8.2485 129.7924 53.8682 39.1953 179.7337 *102 G 3.8297 8.8590 117.9090 44.6584 0.0000 173.3288 103 G 4.0025 8.1693 106.8153 45.0319 0.0000 172.5072 104 I 4.4231 8.8898 120.3709 59.5387 38.4821 175.5984 105 F 3.9692 9.1156 131.3496 57.8254 40.5509 174.2939 106 V 4.2595 7.1961 125.2546 60.6129 34.9686 173.8916 107 K 4.6128 8.3977 127.9907 54.4819 35.9123 174.5569 108 I 4.8871 8.8574 128.0246 59.1621 39.9500 175.1191 109 L 5.4587 8.2374 127.1214 52.9762 39.3144 176.8641 *119 I 4.8369 7.6205 125.1689 62.4375 39.8794 178.4687 120 I 3.6804 7.7791 120.3708 64.5067 36.5422 178.5065 121 K 3.9264 8.0660 118.5911 59.3480 31.7063 179.1414 122 D 4.3648 7.8715 118.8174 57.5562 40.7499 178.6501 123 I 3.8374 7.6799 118.6501 62.7426 38.3559 176.3709 124 A 4.6581 7.8266 122.0879 49.3248 18.5706 174.0784 125 P 4.7918 0.0000 0.0000 61.7231 31.3829 176.7852 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 L 8.18 4.51 0.00 1.63 1.67 0.95 0.58 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 3 E 9.00 4.59 0.00 2.01 1.68 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 2.15 2.44 0.00 4 V 9.99 4.60 1.75 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 0.34 0.00 0.00 0.87 0.00 0.00 5 I 8.66 4.72 1.81 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 1.17 0.83 0.95 0.00 0.00 6 I 8.93 4.92 1.81 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.43 0.92 0.00 0.00 7 K 9.12 5.33 0.00 1.80 1.71 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.61 7.81 8 A 9.05 5.03 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 9 K 8.92 4.78 0.00 1.96 1.90 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.53 7.81 10 V 9.09 4.65 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.20 0.00 0.00 11 K 9.07 4.24 0.00 1.69 1.49 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.50 1.54 7.81 12 P 0.00 4.14 0.00 1.81 1.94 0.00 3.07 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.21 0.00 13 T 7.52 4.12 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 1.16 0.00 0.00 14 E 7.65 4.17 0.00 2.11 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 2.29 2.19 0.00 15 D 8.23 4.76 0.00 2.64 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 16 K 8.55 4.06 0.00 1.56 1.68 0.00 0.61 0.00 0.00 0.69 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.27 7.81 17 Y 7.95 4.38 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 18 K 8.36 4.24 0.00 2.02 1.75 0.00 1.57 0.00 0.00 1.26 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.53 7.81 19 V 7.85 3.68 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 1.26 0.00 0.00 1.09 0.00 0.00 20 K 7.94 3.11 0.00 1.07 1.71 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.90 0.21 7.81 21 K 8.34 3.85 0.00 1.95 2.08 0.00 1.61 0.00 0.00 1.40 0.00 0.00 2.51 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.35 7.81 22 A 7.91 4.04 1.54 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 23 I 7.67 3.88 1.92 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 1.59 1.01 0.99 0.00 0.00 24 L 8.00 4.21 0.00 1.74 1.67 0.83 0.60 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 25 N 8.09 4.51 0.00 2.87 2.78 0.00 0.00 6.93 6.82 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 26 I 6.94 4.05 1.40 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.21 0.05 0.00 0.00 27 F 7.84 4.95 0.00 3.06 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 28 P 0.00 4.32 0.00 2.04 2.11 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 29 K 7.98 4.32 0.00 1.77 1.86 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.50 7.81 30 A 7.94 4.37 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 31 K 8.82 4.47 0.00 1.75 1.79 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 32 L 8.61 5.31 0.00 1.60 1.89 0.71 0.90 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 33 T 9.38 4.90 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 1.30 0.00 0.00 34 F 8.96 4.48 0.00 1.51 2.50 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 35 I 7.31 4.06 1.62 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.40 0.75 0.00 0.00 36 E 8.32 4.05 0.00 1.82 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 0.00 2.56 2.62 0.00 37 K 8.14 4.70 0.00 1.63 1.64 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.23 7.81 38 D 8.56 4.53 0.00 2.69 2.59 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 0.00 39 N 8.99 4.04 0.00 3.16 3.08 0.00 0.00 7.08 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 40 E 8.31 3.88 0.00 2.03 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 2.23 2.32 0.00 41 F 7.75 4.64 0.00 3.17 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 42 G 8.66 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.25 5.21 0.00 1.89 1.57 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 0.00 2.25 2.43 0.00 44 W 9.83 5.36 0.00 3.41 3.17 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 45 E 9.29 5.35 0.00 1.93 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 2.25 2.23 0.00 46 G 8.93 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.10 5.66 0.00 1.64 1.60 0.00 2.09 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.26 7.81 48 T 8.00 4.69 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 1.04 0.00 0.00 49 K 8.79 4.59 0.00 1.75 1.78 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.32 7.81 50 S 8.21 4.81 0.00 3.83 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 51 V 8.14 4.71 2.23 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 1.02 0.00 0.00 1.00 0.00 0.00 52 E 8.01 3.95 0.00 2.14 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 2.34 2.34 0.00 53 K 7.96 3.82 0.00 1.80 1.86 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.46 7.81 54 L 7.83 3.79 0.00 1.59 1.85 0.90 0.84 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 55 K 8.09 3.96 0.00 2.05 1.85 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.73 7.81 56 E 8.41 3.90 0.00 2.07 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 2.28 2.34 0.00 57 L 8.34 3.97 0.00 1.74 1.63 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.02 4.02 0.00 1.85 1.74 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.79 3.84 0.00 1.82 2.07 0.00 3.11 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 60 S 8.16 4.10 0.00 3.83 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 61 Q 7.97 4.28 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 62 S 8.15 3.81 0.00 4.01 3.92 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 63 I 7.63 4.74 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 1.01 0.00 0.00 64 L 8.31 3.95 0.00 1.70 1.75 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.00 4.26 0.00 2.80 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 66 A 7.89 4.02 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 67 A 8.53 3.51 1.41 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 68 R 8.13 3.60 0.00 1.96 2.07 0.00 3.27 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 *70 V 7.71 3.84 1.22 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 0.75 0.00 0.00 0.53 0.00 0.00 71 L 7.89 3.95 0.00 1.65 1.65 0.84 0.18 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 72 E 8.29 4.13 0.00 1.89 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 2.31 2.41 0.00 73 K 8.12 3.92 0.00 1.68 1.97 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.44 7.81 74 G 8.04 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 0.00 0.00 0.00 0.00 *76 T 7.87 4.46 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 1.25 0.00 0.00 77 E 8.30 3.80 0.00 1.94 1.85 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 2.36 2.46 0.00 78 N 8.12 4.95 0.00 2.80 2.74 0.00 0.00 6.57 7.54 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 79 A 7.04 4.60 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 80 T 8.47 5.07 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 1.33 0.00 0.00 81 K 9.08 5.00 0.00 1.77 1.75 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.46 7.81 82 F 7.98 5.00 0.00 3.28 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 83 Y 9.16 5.26 0.00 3.04 3.03 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 84 L 8.90 5.22 0.00 1.66 1.56 1.08 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.26 4.77 0.00 2.96 2.70 0.00 0.00 6.91 6.99 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 86 K 9.08 3.97 0.00 1.95 1.86 0.00 1.86 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.62 7.81 87 Q 8.19 4.09 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 88 A 8.53 4.13 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 89 A 8.20 4.06 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 90 Y 7.95 4.04 0.00 3.10 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 91 V 7.84 4.13 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 0.85 0.00 0.00 1.03 0.00 0.00 92 G 8.28 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 0.00 0.00 0.00 93 A 7.69 4.61 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.78 4.01 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 0.26 0.00 0.00 0.78 0.00 0.00 95 N 7.98 4.77 0.00 2.62 2.51 0.00 0.00 7.14 7.71 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 96 F 8.55 5.46 0.00 3.16 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 97 D 8.25 5.13 0.00 2.78 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 *102 G 8.86 3.83 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 0.00 0.00 0.00 103 G 8.17 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 0.00 104 I 8.89 4.42 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.13 1.02 0.00 0.00 105 F 9.12 3.97 0.00 3.01 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 0.00 106 V 7.20 4.26 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 0.50 0.00 0.00 0.85 0.00 0.00 107 K 8.40 4.61 0.00 1.45 1.37 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.44 7.81 108 I 8.86 4.89 1.92 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.94 0.00 0.00 109 L 8.24 5.46 0.00 1.68 1.75 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *119 I 7.62 4.84 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 1.44 0.95 0.94 0.00 0.00 120 I 7.78 3.68 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 1.64 0.70 0.88 0.00 0.00 121 K 8.07 3.93 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.53 7.81 122 D 7.87 4.36 0.00 2.82 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 0.00 123 I 7.68 3.84 1.89 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 1.52 0.39 0.94 0.00 0.00 124 A 7.83 4.66 1.22 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 0.00 125 P 0.00 4.79 0.00 2.05 1.97 0.00 3.76 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.