NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.2539 8.2649 123.5764 51.6026 19.9850 175.7173 15 F 4.5414 8.5757 118.3581 57.2306 39.6815 174.4579 16 H 4.6093 11.1099 123.3200 55.9903 30.3437 173.7113 17 D 5.5889 8.7710 121.8583 52.9434 43.0556 175.6560 18 F 4.9663 9.3809 124.0678 57.1030 43.2363 172.9952 19 Q 5.5394 7.7401 123.3652 53.6998 31.5954 174.8212 20 A 4.6058 7.8052 121.7108 50.6983 22.8231 175.4161 21 R 4.2144 8.5835 123.0676 55.7162 31.4004 175.9856 22 V 3.8704 8.4468 127.0070 63.1038 32.6741 174.7830 23 Y 4.9197 9.4561 125.9756 55.9378 41.1840 176.9675 24 V 3.5451 8.8505 118.6929 66.4292 31.4357 177.8055 25 A 4.0018 8.1686 120.3519 54.9385 18.4143 177.8823 26 D 4.5382 8.3968 115.4086 55.7959 41.3717 176.8193 27 T 4.8161 7.7552 109.9121 60.3203 70.5418 172.5286 28 D 4.9420 8.7045 120.5474 51.2294 42.5274 176.1182 29 F 4.2856 9.2070 113.7397 59.0655 37.5620 175.9323 30 S 3.9378 8.5922 115.5924 58.3333 63.1459 175.1544 31 G 3.9133 8.5696 110.6532 45.1783 0.0000 173.5532 32 V 4.5660 6.9152 112.3206 58.8531 35.1201 175.3090 33 V 4.0130 8.1294 122.0542 63.7996 31.7972 175.2458 34 Y 4.5924 9.2142 130.0514 57.7577 39.6233 176.4211 35 H 4.2013 8.3186 122.1052 58.8606 28.5439 177.7196 36 A 3.9380 6.1991 122.5412 54.5370 18.2265 179.3844 37 R 3.9245 7.9017 116.4217 58.8513 30.0825 178.5579 38 Y 4.3572 7.7470 116.7666 60.9995 37.8638 178.3126 39 L 4.5883 8.0877 119.8860 57.5573 41.6037 179.5678 40 E 3.8915 8.0203 118.8705 59.3984 29.4651 179.1193 41 F 4.4697 7.6212 117.2189 60.7472 39.0528 177.3935 42 F 4.6698 8.6557 117.7203 60.9160 38.7424 177.3824 43 E 4.0542 8.3251 118.6297 59.3880 29.4333 178.9114 44 R 4.0735 8.4542 118.3432 59.2633 30.1739 179.1734 45 G 3.8334 8.3730 105.3835 48.0762 0.0000 175.9878 46 R 3.9942 8.2484 120.7513 59.1253 30.1179 179.4374 47 S 4.2408 8.3808 114.9341 61.2655 62.9261 176.2674 48 E 3.9918 8.0933 121.1146 58.2210 29.0195 178.7198 49 F 3.9211 8.0633 120.3623 61.1783 39.8227 176.4896 50 L 4.0935 8.1325 118.5883 58.1969 41.3160 179.5845 51 R 3.8953 7.7462 116.6330 59.7353 29.9747 177.9785 52 D 4.4589 7.7182 117.3865 55.5914 40.8863 177.5182 53 T 4.1096 7.8411 109.3672 61.2115 69.1554 175.8421 54 G 4.0115 8.2390 110.3292 44.2611 0.0000 173.0411 *59 L 4.3986 8.4221 117.6880 54.2397 43.1275 175.9049 60 L 3.9921 7.7483 118.9773 57.4305 41.7616 179.4059 61 A 3.4786 7.6823 120.0907 54.6662 18.6323 178.7513 62 S 4.1658 7.9082 110.1040 60.9805 63.7007 173.7080 63 G 3.6179 9.6302 114.6048 45.2468 0.0000 174.8130 64 V 3.1178 6.9729 120.5790 62.5885 31.6602 173.2200 65 E 4.2972 8.7925 114.0885 56.3307 28.8746 175.9079 66 G 3.7754 6.8327 113.7376 45.6599 0.0000 174.8805 67 E 4.7554 7.6638 118.1513 54.6726 33.0128 176.1350 68 K 4.1172 8.6832 125.0911 55.5876 32.6454 176.2832 69 L 4.9256 8.0933 125.9500 51.9610 44.2762 176.2167 70 F 4.7932 9.5892 120.5654 55.4220 43.1526 174.4906 71 F 5.1318 8.6621 121.4405 57.6225 39.7908 175.1700 72 V 4.5210 9.0511 122.2863 59.8216 34.7864 174.7521 73 V 4.0910 8.4546 124.1953 62.8170 31.2279 175.5526 74 R 4.3024 9.0895 128.4271 58.6765 31.1841 176.8298 75 H 4.8394 7.7329 116.8056 55.0984 33.4869 172.1446 76 M 5.1268 8.1897 123.8169 53.8612 35.6059 173.3100 77 E 4.7069 9.1175 126.6221 54.4210 32.5609 174.5239 78 I 4.9357 8.2716 126.4036 59.5076 41.0462 174.2063 79 N 4.8205 8.9366 124.3245 51.4778 41.1912 173.6358 80 F 4.8674 8.9690 123.6813 56.4040 39.2851 175.3246 81 S 4.7347 9.0842 119.8656 59.0394 64.7132 174.9750 82 R 4.7357 7.7657 116.6437 53.5924 33.9975 172.3504 83 P 4.9903 0.0000 0.0000 62.0910 33.2217 174.9502 84 A 4.8093 9.0007 123.0139 51.0365 21.6229 176.1437 85 Q 4.8750 9.0546 118.3671 53.3530 32.4407 175.2225 86 I 3.6545 8.2472 119.9875 63.1153 38.1809 176.1224 87 D 4.5977 8.5293 125.0863 54.5628 40.3776 174.4695 88 N 4.2140 7.5841 117.1240 53.7226 39.6181 173.8135 89 L 4.4313 8.4668 125.7863 54.3329 42.9385 175.6157 90 L 4.8298 8.5278 126.6406 53.5082 44.7041 175.5886 91 T 4.9938 9.1188 118.7539 61.9744 71.1660 173.1902 92 I 5.0111 9.2973 128.4205 59.5828 39.9508 174.7919 93 K 5.3205 9.2980 126.1792 55.1313 34.8758 175.3616 94 T 5.5199 9.2372 121.8685 62.0740 72.7069 173.2923 95 R 4.6632 8.1180 118.1089 55.2288 33.2472 173.8165 96 I 4.3808 8.0396 122.2558 61.1695 37.1456 176.0543 97 S 4.4546 9.0761 122.8234 59.8719 64.3969 174.6462 98 R 4.4318 7.6053 117.2691 55.5446 33.2258 172.9290 99 L 5.1933 8.8816 127.9211 53.5597 44.0719 175.6463 100 Q 4.5772 9.4475 123.1471 55.3288 30.7935 174.9978 101 G 4.3087 8.8394 108.9377 45.4575 0.0000 175.0464 102 A 4.5815 7.5899 119.1380 51.7778 20.4296 176.2397 103 R 4.8147 7.4684 111.1719 54.8626 32.9064 173.8403 104 F 5.6205 8.0834 115.1123 55.1393 42.1027 173.4752 105 F 5.2274 9.3526 116.4884 56.0150 42.7959 174.3798 106 M 5.2443 9.2233 121.8539 53.4292 35.8065 174.0056 107 E 4.9710 8.7434 121.3793 54.6278 32.7748 174.7779 108 Q 5.3080 8.3472 124.2183 53.5840 33.7312 173.6847 109 Y 5.3804 8.4674 117.6608 56.8461 43.0193 173.7049 110 I 4.9782 9.0239 124.4268 59.6712 39.7734 174.8409 111 L 5.1782 9.3244 126.1117 53.1054 46.3579 175.1601 112 H 4.8156 8.8747 120.3845 54.3638 31.8105 175.7411 113 G 3.7152 8.9372 120.5887 47.5715 0.0000 175.1480 114 E 4.2591 8.9906 120.8963 56.0121 30.6429 176.7219 115 S 4.3376 7.8712 113.6478 58.3690 62.9655 172.6212 116 M 4.5297 8.5568 127.9711 55.4967 32.7798 174.6424 117 L 4.5376 8.8046 125.8683 56.0981 43.7355 176.6890 118 V 4.9124 7.4722 117.4814 61.3023 35.2553 173.3862 119 T 5.1298 8.9167 116.6303 60.0402 72.0465 172.6525 120 A 5.4511 8.4915 126.3683 50.6007 23.2541 175.6345 121 K 4.7957 8.4345 123.7559 53.3102 34.8875 174.7656 122 V 4.6856 8.5809 125.1518 59.9638 34.8981 173.6237 123 E 4.4750 9.3751 128.7117 54.3544 31.8690 174.3269 124 I 4.6619 7.6504 127.3907 59.3959 40.1365 174.9056 125 A 4.7910 8.6006 128.6113 49.9192 22.8672 174.0918 126 L 5.3310 8.3264 119.3611 53.5074 44.8539 175.3391 127 I 5.2748 9.0268 118.5574 59.3959 41.9262 174.2309 128 N 5.3629 8.4502 120.9646 50.6424 39.6393 175.2821 129 E 4.0186 9.1588 119.3261 59.6376 29.3334 177.4619 130 E 4.2353 8.3117 112.5922 56.3654 29.8862 176.7061 131 G 3.8285 8.8748 110.0783 46.6758 0.0000 174.3347 132 K 4.3769 8.0860 121.0453 52.3931 32.6848 178.3172 133 P 4.8823 0.0000 0.0000 62.2509 31.9354 175.9787 134 R 4.7948 8.1617 119.8027 54.3253 34.1157 175.3717 135 R 4.3364 8.6097 120.5115 56.2473 31.3950 175.5079 136 L 4.8453 8.5237 120.6036 52.8206 43.5265 176.8475 137 P 4.5852 0.0000 0.0000 63.0383 33.0363 175.7880 138 K 4.3769 8.5268 119.7650 54.2078 32.7021 172.8470 139 E 4.3375 8.5930 120.4490 55.6567 29.6633 175.6512 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 14 A 8.26 4.25 1.32 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 15 F 8.58 4.54 0.00 3.16 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 16 H 11.11 4.61 0.00 3.52 3.41 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.77 5.59 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.38 4.97 0.00 3.21 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 19 Q 7.74 5.54 0.00 1.68 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.41 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 20 A 7.81 4.61 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 21 R 8.58 4.21 0.00 1.65 1.51 0.00 3.06 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.55 0.00 22 V 8.45 3.87 2.02 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 0.91 0.00 0.00 0.77 0.00 0.00 23 Y 9.46 4.92 0.00 2.92 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 24 V 8.85 3.55 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 1.09 0.00 0.00 0.99 0.00 0.00 25 A 8.17 4.00 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 26 D 8.40 4.54 0.00 3.01 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 27 T 7.76 4.82 4.36 0.00 0.00 0.00 0.00 0.00 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 28 D 8.70 4.94 0.00 3.00 2.89 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 29 F 9.21 4.29 0.00 3.20 3.12 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 30 S 8.59 3.94 0.00 3.78 3.66 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 31 G 8.57 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 0.00 0.00 0.00 32 V 6.92 4.57 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 0.74 0.00 0.00 0.98 0.00 0.00 33 V 8.13 4.01 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 0.01 0.00 0.00 0.94 0.00 0.00 34 Y 9.21 4.59 0.00 3.01 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 35 H 8.32 4.20 0.00 2.54 3.07 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.20 3.94 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 37 R 7.90 3.92 0.00 1.78 1.72 0.00 3.26 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.03 0.00 38 Y 7.75 4.36 0.00 3.39 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 39 L 8.09 4.59 0.00 2.03 1.83 1.19 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.02 3.89 0.00 1.72 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 0.00 2.26 2.22 0.00 41 F 7.62 4.47 0.00 3.17 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 42 F 8.66 4.67 0.00 3.26 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 43 E 8.33 4.05 0.00 2.15 2.27 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 2.37 2.42 0.00 44 R 8.45 4.07 0.00 2.40 2.20 0.00 3.59 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.01 0.00 45 G 8.37 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 46 R 8.25 3.99 0.00 2.04 1.99 0.00 3.11 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.97 0.00 47 S 8.38 4.24 0.00 3.85 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 48 E 8.09 3.99 0.00 1.61 1.58 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 1.78 1.47 0.00 49 F 8.06 3.92 0.00 3.10 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 50 L 8.13 4.09 0.00 1.97 1.77 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.75 3.90 0.00 1.79 2.00 0.00 3.48 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 52 D 7.72 4.46 0.00 2.77 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 53 T 7.84 4.11 4.10 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 0.00 0.00 0.75 0.00 0.00 54 G 8.24 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 0.00 0.00 0.00 *59 L 8.42 4.40 0.00 1.70 1.64 0.92 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 60 L 7.75 3.99 0.00 1.42 1.52 0.37 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.68 3.48 1.20 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 0.00 0.00 62 S 7.91 4.17 0.00 3.96 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 63 G 9.63 3.62 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 0.00 0.00 0.00 64 V 6.97 3.12 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 0.67 0.00 0.00 0.91 0.00 0.00 65 E 8.79 4.30 0.00 1.93 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 2.29 2.34 0.00 66 G 6.83 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 0.00 0.00 0.00 67 E 7.66 4.76 0.00 1.90 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 2.12 2.25 0.00 68 K 8.68 4.12 0.00 1.47 1.76 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.04 7.81 69 L 8.09 4.93 0.00 1.18 1.32 0.81 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.59 4.79 0.00 2.71 2.88 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 71 F 8.66 5.13 0.00 3.08 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 72 V 9.05 4.52 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 0.74 0.00 0.00 0.93 0.00 0.00 73 V 8.45 4.09 2.07 0.00 0.00 0.00 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 0.92 0.00 0.00 74 R 9.09 4.30 0.00 1.58 1.92 0.00 3.37 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 75 H 7.73 4.84 0.00 3.21 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.19 5.13 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 77 E 9.12 4.71 0.00 2.02 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 2.17 2.26 0.00 78 I 8.27 4.94 1.53 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 1.27 0.69 0.35 0.00 0.00 79 N 8.94 4.82 0.00 2.52 2.68 0.00 0.00 6.59 7.82 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 80 F 8.97 4.87 0.00 2.87 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 81 S 9.08 4.73 0.00 3.85 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 82 R 7.77 4.74 0.00 1.86 1.82 0.00 3.36 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 83 P 0.00 4.99 0.00 2.13 2.10 0.00 3.78 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 1.97 1.99 0.00 84 A 9.00 4.81 1.30 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 0.00 0.00 0.00 85 Q 9.05 4.87 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 86 I 8.25 3.65 1.88 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 1.43 0.60 0.90 0.00 0.00 87 D 8.53 4.60 0.00 2.86 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 88 N 7.58 4.21 0.00 2.60 2.52 0.00 0.00 6.44 6.72 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 89 L 8.47 4.43 0.00 1.56 1.53 0.82 0.93 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 90 L 8.53 4.83 0.00 1.42 1.36 0.42 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 91 T 9.12 4.99 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 1.24 0.00 0.00 92 I 9.30 5.01 2.21 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 1.22 0.00 0.00 93 K 9.30 5.32 0.00 1.75 1.76 0.00 1.39 0.00 0.00 1.39 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.62 1.42 7.81 94 T 9.24 5.52 4.42 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 1.04 0.00 0.00 95 R 8.12 4.66 0.00 1.71 1.68 0.00 2.24 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.34 0.00 96 I 8.04 4.38 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.17 0.95 0.00 0.00 97 S 9.08 4.45 0.00 3.83 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 98 R 7.61 4.43 0.00 1.81 1.77 0.00 2.91 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 99 L 8.88 5.19 0.00 1.64 1.56 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 9.45 4.58 0.00 2.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.18 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 101 G 8.84 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 0.00 0.00 0.00 0.00 102 A 7.59 4.58 1.29 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 0.00 0.00 103 R 7.47 4.81 0.00 1.50 1.80 0.00 2.92 0.00 0.00 3.48 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 104 F 8.08 5.62 0.00 3.10 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 0.00 105 F 9.35 5.23 0.00 3.13 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 0.00 106 M 9.22 5.24 0.00 1.78 1.84 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.29 0.00 107 E 8.74 4.97 0.00 2.07 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 2.16 2.22 0.00 108 Q 8.35 5.31 0.00 1.11 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.51 0.00 0.00 0.00 0.00 0.00 2.21 1.92 0.00 109 Y 8.47 5.38 0.00 2.73 2.73 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 0.00 0.00 0.00 110 I 9.02 4.98 1.75 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.98 0.86 0.00 0.00 111 L 9.32 5.18 0.00 1.53 1.62 0.91 0.65 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 0.00 112 H 8.87 4.82 0.00 3.14 3.14 0.00 5.75 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 0.00 113 G 8.94 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 0.00 0.00 0.00 114 E 8.99 4.26 0.00 2.00 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 2.17 1.85 0.00 115 S 7.87 4.34 0.00 3.85 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 0.00 116 M 8.56 4.53 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 117 L 8.80 4.54 0.00 1.65 1.75 0.95 0.44 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 0.00 118 V 7.47 4.91 1.79 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 0.83 0.00 0.00 0.00 0.00 0.00 119 T 8.92 5.13 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 1.37 0.00 0.00 120 A 8.49 5.45 0.44 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 0.00 121 K 8.43 4.80 0.00 1.43 1.67 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.72 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 0.96 7.81 122 V 8.58 4.69 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 0.86 0.00 0.00 0.73 0.00 0.00 123 E 9.38 4.47 0.00 1.97 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 0.00 1.69 1.47 0.00 124 I 7.65 4.66 0.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.69 0.60 0.00 0.00 125 A 8.60 4.79 1.15 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 0.00 126 L 8.33 5.33 0.00 1.83 1.68 0.42 0.77 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 0.00 127 I 9.03 5.27 1.91 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 1.33 0.99 0.96 0.00 0.00 128 N 8.45 5.36 0.00 2.97 3.01 0.00 0.00 6.49 7.49 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 0.00 129 E 9.16 4.02 0.00 2.03 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 2.36 2.51 0.00 130 E 8.31 4.24 0.00 2.12 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 2.52 2.25 0.00 131 G 8.87 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 0.00 132 K 8.09 4.38 0.00 1.73 1.69 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.27 7.81 133 P 0.00 4.88 0.00 2.03 2.01 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 134 R 8.16 4.79 0.00 1.64 1.76 0.00 3.31 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 135 R 8.61 4.34 0.00 1.71 1.91 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 136 L 8.52 4.85 0.00 1.59 1.70 1.14 1.53 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 0.00 137 P 0.00 4.59 0.00 2.20 2.07 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 138 K 8.53 4.38 0.00 1.80 1.63 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 0.99 7.81 139 E 8.59 4.34 0.00 1.97 1.89 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 2.14 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.