NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 C 4.6338 8.4549 118.1635 57.0452 41.2902 175.1799 27 R 4.4054 8.3417 128.3333 54.9106 31.3846 171.5219 28 E 3.7262 9.0577 120.5110 55.1662 32.1192 177.0023 29 K 3.8156 8.6094 115.8992 56.7299 29.9170 174.1643 30 Q 5.5110 7.7444 115.4016 56.0658 32.3936 172.8817 31 Y 5.0695 8.0174 123.5170 54.5242 41.3738 174.7085 32 L 4.1767 8.6962 122.5535 56.4171 41.6131 176.7065 33 I 4.1998 8.8977 119.7679 61.5283 41.9313 174.1995 34 N 4.4102 8.5130 127.1097 55.0542 38.1104 174.8557 35 S 4.5667 8.7122 121.7188 59.3237 62.7337 172.6953 36 Q 4.4340 8.1522 122.3130 55.6233 31.9079 171.5293 37 C 5.0615 8.3951 115.2617 55.4909 38.1539 174.9893 38 C 4.7555 7.9690 121.1416 54.9635 42.8689 173.4112 39 S 4.5540 8.3828 116.1930 58.6650 63.4202 174.3480 40 L 4.7954 8.4255 126.2717 54.1336 42.3319 174.8726 41 C 3.9636 8.6829 122.9852 56.4093 41.6928 174.7323 42 Q 3.0475 8.6418 121.7578 53.9444 29.3049 173.1978 43 P 4.0933 0.0000 0.0000 64.0994 31.7441 177.3726 44 G 4.0621 8.7209 108.6775 45.6581 0.0000 172.6999 45 Q 5.0447 7.9477 119.2725 53.7539 30.9813 175.0664 46 K 4.4754 9.1207 124.1938 54.7109 34.8747 175.5915 47 L 4.3181 8.8639 127.8450 55.7330 42.6897 176.3469 48 V 4.0661 8.4842 123.9297 64.5567 34.2629 176.1022 49 S 4.7307 8.0829 122.2125 56.4329 62.8900 171.8319 50 D 4.8892 8.5347 123.7692 53.2389 39.5917 175.3521 51 C 4.3885 9.0420 118.8597 56.2526 38.9883 173.4631 52 T 4.4878 8.4688 110.9862 59.4526 71.0575 174.5022 53 E 4.5443 8.1165 121.2697 58.7740 29.2911 179.0708 54 F 4.8245 8.1616 114.2910 56.8692 39.8332 175.8107 55 T 4.6391 7.7452 116.8957 62.1931 72.7229 173.4431 56 E 4.5277 8.6015 124.3516 55.9323 30.9391 176.4206 57 T 4.3192 8.4642 116.2358 62.8960 68.1544 173.1036 58 E 4.7654 9.4187 128.0747 55.3454 32.2790 174.2457 59 C 5.5928 8.5007 118.3391 55.3804 43.1189 172.6617 60 L 4.8394 8.4786 119.8934 53.0249 45.4197 173.6187 61 P 4.8049 0.0000 0.0000 62.5761 32.0930 176.9975 62 C 4.4259 8.7943 122.0126 57.0099 41.3034 173.1148 63 G 3.8727 7.7104 108.8680 44.7862 0.0000 173.4150 64 E 4.3468 8.5465 115.4521 57.4475 30.2543 177.1114 65 S 4.8453 7.8151 115.0478 58.4173 64.7170 172.7684 66 E 5.0937 7.6878 119.7248 55.2166 33.2178 174.0791 67 F 4.4922 7.9966 113.1292 57.6410 40.6392 173.4836 68 L 3.9037 7.6005 120.9017 54.2138 43.4749 176.0763 69 D 4.8378 8.2338 129.6170 51.7108 39.2672 176.5866 70 T 4.1900 7.0097 112.8517 62.1873 70.4160 173.0837 71 W 4.2465 9.3994 127.9695 57.6569 28.4081 174.8299 72 N 5.0887 8.3074 123.5384 50.7431 39.8457 175.2826 73 R 4.6411 7.9428 113.5188 56.0888 30.0680 175.0127 74 E 4.1810 8.3896 120.1926 56.8948 30.3697 176.9963 75 T 4.5683 8.1281 112.5444 61.6380 69.9212 174.4919 76 H 4.7933 7.7306 118.5137 53.8826 31.9463 174.1772 77 C 4.4532 8.5767 121.0787 56.9557 36.6409 171.9471 78 H 5.2072 8.2937 117.5379 54.4494 30.5753 174.8132 79 Q 4.7651 8.5635 119.9598 55.5491 29.9356 175.3020 80 H 4.5802 8.5970 119.2943 56.0543 29.3186 175.3952 81 K 3.9233 8.8646 123.7101 57.1198 32.5984 175.0217 82 Y 4.7233 8.4582 124.9075 56.3206 40.7200 177.3766 83 C 4.2811 7.7895 127.2887 54.5657 39.9347 172.4778 84 D 3.9288 7.2836 119.7747 53.4487 41.2691 175.0652 85 P 4.0535 0.0000 0.0000 65.7025 31.3982 178.2259 86 N 4.1180 8.3952 116.0037 56.0870 38.5688 175.7574 87 L 4.2393 8.1993 116.2555 55.1801 42.1739 177.7102 88 G 3.1331 8.6215 108.1757 45.5133 0.0000 173.2464 89 L 4.9618 7.0654 119.2401 52.8735 44.7363 175.4615 90 R 4.4447 7.8207 113.2717 55.0862 32.9277 174.8026 91 V 3.6435 8.2305 121.3622 63.5092 31.1971 175.1727 92 Q 4.2039 8.9958 131.2915 58.4558 30.0551 176.1937 93 Q 4.4188 7.6723 120.1969 54.5006 32.4088 174.5264 94 K 4.1982 8.8604 126.2934 56.7826 33.1742 175.8843 95 G 3.9607 8.0648 107.3955 44.9331 0.0000 173.8273 96 T 4.4881 8.0417 115.3690 60.9129 71.2007 175.1316 97 S 4.7603 8.6146 118.8549 59.0116 63.0345 174.9837 98 E 5.3495 8.3206 115.7872 57.3690 31.2076 174.7060 99 T 4.5510 7.6939 108.9517 60.8971 71.4182 172.9807 100 D 3.4921 7.8290 124.7734 53.5336 42.3081 175.5654 101 T 4.3620 8.0989 118.1112 63.5414 69.7148 174.0571 102 I 4.4556 8.6707 124.3737 59.9360 39.8641 174.6626 103 C 5.4029 8.7216 124.2034 55.9879 38.2579 172.4455 104 T 4.5833 8.0176 109.1580 60.9384 72.3493 172.2551 105 C 5.0844 8.5744 119.8145 56.5004 39.9370 173.2921 106 E 4.4479 8.1919 119.5968 55.1147 30.7294 176.6074 107 E 4.0736 8.2355 120.8806 58.7526 29.7849 177.3533 108 G 4.1528 9.3080 111.4182 44.5986 0.0000 172.2799 109 W 5.5673 8.9501 118.8968 54.3060 32.4165 174.4031 110 H 5.2477 8.1575 115.2319 54.1586 31.8247 173.4286 111 C 5.1194 9.1128 117.1800 56.8117 40.8175 173.9130 112 T 4.5447 8.6517 116.9414 62.0483 68.5716 174.9023 113 S 5.2162 7.5970 121.9406 57.9573 63.8616 177.8158 114 E 4.0471 8.7967 117.8932 57.7219 28.8722 177.2730 115 A 4.4139 8.7586 122.6166 52.4320 20.2877 177.0511 116 C 4.5027 8.0183 112.6607 57.8879 37.8975 174.3220 117 E 4.1633 8.2070 117.7422 57.7175 29.5543 176.3047 118 S 4.6895 7.6284 113.3647 58.6773 68.1864 172.6276 119 C 5.8200 8.5332 116.4160 57.0746 40.2111 174.2980 120 V 4.5833 8.1368 120.0236 60.5578 34.9123 174.6263 121 L 3.5572 7.2834 126.1542 55.9802 40.8370 176.3289 122 H 4.6989 8.2828 117.7000 55.7309 29.5330 175.0752 123 R 4.4294 8.3428 119.1755 55.2900 31.1490 175.4791 124 S 4.5094 8.0170 117.6785 59.0037 64.6868 169.6046 125 C 4.7564 8.6913 113.5608 56.5198 47.3548 174.6933 *132 K 4.1737 7.7531 120.2130 54.4539 33.4460 174.4114 133 Q 4.5405 7.4526 117.7241 53.5574 31.1415 175.9585 134 I 3.9107 8.2737 118.7258 60.8825 38.3027 174.4158 135 A 4.6159 7.7510 121.5695 50.5437 21.3263 175.2973 136 T 4.4986 8.4190 112.0555 61.5283 70.4639 175.4522 137 G 4.0804 7.9953 113.4284 48.1605 0.0000 175.8368 138 V 4.4426 7.5383 109.8247 60.8311 34.1289 176.8863 139 S 4.7400 7.9397 121.7787 56.5984 61.0915 173.8896 140 D 4.8128 8.8844 121.3877 52.6032 42.2027 175.9514 141 T 4.1120 8.1661 117.8420 61.6478 69.7110 174.1642 142 I 4.5174 7.8654 112.7740 59.8840 37.3043 175.4905 143 C 3.7419 7.2986 118.8127 57.5500 44.4694 172.4714 144 E 4.6494 8.4529 125.7648 53.9186 30.7070 174.3318 145 P 4.4102 0.0000 0.0000 63.0166 31.3363 176.1359 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 26 C 8.45 4.63 0.00 2.93 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 27 R 8.34 4.41 0.00 1.82 1.80 0.00 3.21 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 28 E 9.06 3.73 0.00 1.90 1.73 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 2.36 2.34 0.00 29 K 8.61 3.82 0.00 1.65 1.58 0.00 1.13 0.00 0.00 0.66 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.59 7.81 30 Q 7.74 5.51 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.60 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 31 Y 8.02 5.07 0.00 3.07 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 32 L 8.70 4.18 0.00 1.68 1.75 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.90 4.20 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 0.75 0.00 0.00 34 N 8.51 4.41 0.00 2.84 2.10 0.00 0.00 7.19 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 35 S 8.71 4.57 0.00 3.85 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 36 Q 8.15 4.43 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 37 C 8.40 5.06 0.00 2.70 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 38 C 7.97 4.76 0.00 1.96 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 39 S 8.38 4.55 0.00 3.80 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 40 L 8.43 4.80 0.00 1.95 1.89 1.16 1.21 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 41 C 8.68 3.96 0.00 3.09 3.08 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 42 Q 8.64 3.05 0.00 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 43 P 0.00 4.09 0.00 1.79 1.92 0.00 2.54 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 44 G 8.72 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 45 Q 7.95 5.04 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 46 K 9.12 4.48 0.00 1.69 1.84 0.00 1.25 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.31 7.81 47 L 8.86 4.32 0.00 1.74 1.77 1.03 0.42 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 48 V 8.48 4.07 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 0.87 0.00 0.00 0.96 0.00 0.00 49 S 8.08 4.73 0.00 3.97 3.82 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 50 D 8.53 4.89 0.00 2.76 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 C 9.04 4.39 0.00 3.04 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 52 T 8.47 4.49 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 53 E 8.12 4.54 0.00 1.98 2.31 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 1.98 2.17 0.00 54 F 8.16 4.82 0.00 2.96 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 55 T 7.75 4.64 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 1.24 0.00 0.00 56 E 8.60 4.53 0.00 1.98 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 2.29 2.33 0.00 57 T 8.46 4.32 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 1.34 0.00 0.00 58 E 9.42 4.77 0.00 1.92 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 2.27 2.29 0.00 59 C 8.50 5.59 0.00 2.78 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 60 L 8.48 4.84 0.00 1.63 1.40 0.90 1.16 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 61 P 0.00 4.80 0.00 1.96 1.95 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 62 C 8.79 4.43 0.00 2.84 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 63 G 7.71 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 64 E 8.55 4.35 0.00 2.09 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 2.27 2.40 0.00 65 S 7.82 4.85 0.00 3.87 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 66 E 7.69 5.09 0.00 1.99 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 2.19 2.25 0.00 67 F 8.00 4.49 0.00 3.33 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 68 L 7.60 3.90 0.00 1.63 1.42 0.84 0.53 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 69 D 8.23 4.84 0.00 2.93 3.18 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 0.00 0.00 0.00 0.00 70 T 7.01 4.19 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 1.21 0.00 0.00 71 W 9.40 4.25 0.00 3.24 3.32 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 72 N 8.31 5.09 0.00 2.63 2.90 0.00 0.00 6.69 7.47 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 73 R 7.94 4.64 0.00 1.03 1.69 0.00 2.80 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 74 E 8.39 4.18 0.00 1.97 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 2.48 2.23 0.00 75 T 8.13 4.57 4.09 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 1.15 0.00 0.00 76 H 7.73 4.79 0.00 3.03 3.17 0.00 5.89 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 77 C 8.58 4.45 0.00 3.13 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 78 H 8.29 5.21 0.00 2.30 3.04 0.00 5.61 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 79 Q 8.56 4.77 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 80 H 8.60 4.58 0.00 3.16 3.28 0.00 5.68 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 81 K 8.86 3.92 0.00 2.11 1.69 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.44 7.81 82 Y 8.46 4.72 0.00 2.88 2.85 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 83 C 7.79 4.28 0.00 2.71 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 84 D 7.28 3.93 0.00 2.88 2.62 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 85 P 0.00 4.05 0.00 2.12 2.14 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 86 N 8.40 4.12 0.00 2.88 2.97 0.00 0.00 7.05 8.71 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 87 L 8.20 4.24 0.00 1.80 1.69 1.00 0.78 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 88 G 8.62 3.13 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 89 L 7.07 4.96 0.00 1.41 1.46 0.84 0.86 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 90 R 7.82 4.44 0.00 1.77 1.82 0.00 2.84 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.47 0.00 91 V 8.23 3.64 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 0.68 0.00 0.00 0.83 0.00 0.00 92 Q 9.00 4.20 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.34 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 93 Q 7.67 4.42 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 94 K 8.86 4.20 0.00 1.61 1.69 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.42 7.81 95 G 8.06 3.96 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 0.00 0.00 0.00 96 T 8.04 4.49 4.25 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 0.00 0.00 0.00 1.19 0.00 0.00 97 S 8.61 4.76 0.00 4.05 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 0.00 98 E 8.32 5.35 0.00 2.00 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 2.22 2.27 0.00 99 T 7.69 4.55 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 1.20 0.00 0.00 100 D 7.83 3.49 0.00 1.94 2.33 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 0.00 101 T 8.10 4.36 4.17 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 1.16 0.00 0.00 102 I 8.67 4.46 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.21 0.87 0.00 0.00 103 C 8.72 5.40 0.00 2.78 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 0.00 104 T 8.02 4.58 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 1.19 0.00 0.00 105 C 8.57 5.08 0.00 2.94 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 0.00 106 E 8.19 4.45 0.00 1.16 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 2.05 1.88 0.00 107 E 8.24 4.07 0.00 2.12 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 2.34 2.35 0.00 108 G 9.31 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 0.00 109 W 8.95 5.57 0.00 3.16 3.08 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 0.00 110 H 8.16 5.25 0.00 3.27 3.59 0.00 5.65 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 9.11 5.12 0.00 2.90 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 0.00 112 T 8.65 4.54 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 0.00 113 S 7.60 5.22 0.00 4.08 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 0.00 114 E 8.80 4.05 0.00 2.10 2.12 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 2.29 2.33 0.00 115 A 8.76 4.41 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 0.00 116 C 8.02 4.50 0.00 3.07 3.18 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 0.00 0.00 0.00 0.00 117 E 8.21 4.16 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 2.33 2.48 0.00 118 S 7.63 4.69 0.00 3.84 3.79 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 0.00 119 C 8.53 5.82 0.00 3.15 3.24 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 0.00 120 V 8.14 4.58 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 0.84 0.00 0.00 0.95 0.00 0.00 121 L 7.28 3.56 0.00 1.02 0.50 0.68 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.28 4.70 0.00 3.05 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.34 4.43 0.00 1.85 2.02 0.00 2.93 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 124 S 8.02 4.51 0.00 3.77 3.72 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 0.00 125 C 8.69 4.76 0.00 3.04 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 *132 K 7.75 4.17 0.00 1.75 1.85 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 133 Q 7.45 4.54 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 134 I 8.27 3.91 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.89 0.00 0.00 135 A 7.75 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.42 4.50 4.25 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 0.00 0.00 0.00 1.29 0.00 0.00 137 G 8.00 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 0.00 138 V 7.54 4.44 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 0.77 0.00 0.00 0.95 0.00 0.00 139 S 7.94 4.74 0.00 3.80 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 0.00 140 D 8.88 4.81 0.00 2.48 2.62 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 0.00 141 T 8.17 4.11 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 1.12 0.00 0.00 142 I 7.87 4.52 1.86 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 1.44 0.63 0.94 0.00 0.00 143 C 7.30 3.74 0.00 2.93 3.04 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 0.00 144 E 8.45 4.65 0.00 1.98 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 2.23 2.24 0.00 145 P 0.00 4.41 0.00 2.03 1.97 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.