NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2746 8.1593 117.3740 63.2117 68.9724 173.9714 2 S 4.2658 8.3596 122.3789 56.6601 65.5940 173.0458 3 K 4.0255 9.2888 122.8361 59.3825 32.3464 179.5962 4 K 3.8897 7.9993 118.2528 59.7524 31.8708 178.5572 5 K 3.8128 7.8430 118.0313 59.3913 31.1222 177.9528 6 R 4.3142 8.5338 116.5219 56.7754 30.4459 178.2847 7 Q 4.2661 8.1824 119.3345 57.4435 28.3852 175.6187 8 R 3.8236 6.9406 115.8933 60.0880 28.6013 175.6628 9 G 3.9772 9.0097 112.7839 45.8527 0.0000 175.1414 10 S 4.1093 8.1920 114.5696 59.2547 63.4265 175.0666 11 R 4.2852 7.5733 126.1760 57.2072 29.8795 176.9133 12 T 4.2930 7.6532 104.6360 61.2824 69.8058 173.8544 13 H 4.5955 8.6279 118.6465 55.9708 26.8544 175.3061 14 G 4.1553 8.3354 107.7859 45.7848 0.0000 175.0049 15 G 4.0363 8.2194 108.8345 49.7573 0.0000 173.3013 16 G 4.1390 7.9045 102.4191 44.0213 0.0000 177.0477 17 S 4.2396 9.1842 122.9377 57.6248 62.3515 173.7915 18 H 3.9338 9.0633 123.8932 57.6874 28.1585 175.6049 19 K 4.1134 7.4718 118.5585 56.8368 31.8249 177.4078 20 N 4.4014 8.4423 118.5457 55.5909 39.6046 176.3477 21 R 4.5022 7.6487 118.8787 56.6963 30.0804 176.2059 22 R 4.2318 8.1459 120.0619 56.6594 29.4803 179.6718 23 G 4.2062 8.8409 122.2278 45.3613 0.0000 174.0303 24 A 4.2766 8.5679 120.3291 53.7738 18.3543 180.0531 25 G 3.5435 7.9765 104.7800 48.0088 0.0000 175.2567 26 H 4.1578 7.7949 119.2057 58.6713 29.8929 176.5426 27 R 4.3933 7.8403 116.7170 55.6561 30.4219 177.0711 28 G 3.8877 7.6027 107.5691 45.3092 0.0000 173.0528 29 G 4.2148 7.6494 105.4636 43.2815 0.0000 174.6085 30 R 4.0565 8.4661 120.7103 56.7828 31.6528 177.2106 31 G 3.8574 8.4013 111.3606 47.3333 0.0000 174.2101 32 D 4.7294 8.7644 124.2075 54.1066 40.5548 175.3392 33 A 4.0569 7.6001 122.2702 53.6236 18.9909 178.1268 34 G 4.1384 8.9990 107.5376 46.0137 0.0000 175.0737 35 R 3.8937 7.6964 114.6894 57.4893 29.3119 177.0918 36 D 4.9253 7.7878 115.3145 52.8957 41.4964 175.0775 37 K 4.3932 8.7157 116.8323 57.7004 33.8297 177.1203 38 H 4.5511 9.3792 120.0391 58.2990 29.9018 176.9055 39 E 4.6053 7.3807 118.8846 55.5945 29.9026 177.0335 40 F 4.7099 7.8748 114.7514 58.6782 38.6145 175.0422 41 H 3.5347 6.8698 118.3301 57.1894 28.4543 174.4683 42 N 4.2564 8.9099 122.8949 55.0947 35.0326 174.4712 43 H 4.6746 8.1054 114.7114 53.8883 30.9032 173.5283 44 E 3.8105 8.9113 124.3075 55.5802 29.1898 175.5768 45 P 4.3283 0.0000 0.0000 62.4268 31.8212 175.9992 46 L 4.0710 8.2048 119.4670 54.6055 42.1307 176.6715 47 G 4.4281 7.7239 108.5409 43.5371 0.0000 172.1527 48 K 4.6413 7.9807 119.5975 54.3750 34.3626 176.1889 49 S 4.5158 8.0749 116.4708 57.3832 65.5778 175.3197 50 G 3.9980 8.8290 116.1416 45.5784 0.0000 171.4559 51 F 5.0353 8.1451 112.5762 55.3657 41.1737 173.3263 52 K 4.4149 8.5053 118.7250 54.5304 35.3888 176.1089 53 R 4.6853 8.3279 120.9861 53.7548 31.8043 174.4563 54 P 4.1174 0.0000 0.0000 62.9207 31.5865 176.6510 55 Q 3.9353 8.9771 122.0422 58.9219 28.7130 177.8599 56 K 4.4865 7.9107 114.4082 56.9258 32.8096 176.7467 57 V 4.4133 8.0120 116.3588 62.9992 32.1964 174.5567 58 Q 4.5769 8.0387 116.8466 53.6274 30.3200 174.7839 59 E 4.8548 8.6902 122.4533 54.6653 30.4679 175.3772 60 E 4.4515 8.4817 125.2775 54.2302 31.2095 174.2794 61 A 4.1335 8.0902 128.2428 50.9316 20.0344 176.3017 62 A 4.4048 8.8127 124.2281 51.2224 19.8500 176.7159 63 T 5.5539 8.2690 112.3041 60.0376 71.7163 173.8503 64 I 4.5968 7.8655 121.3402 60.0042 41.9619 173.2281 65 D 5.6873 8.6349 127.8248 52.8817 42.1159 177.7203 66 V 3.6516 8.6453 117.1436 64.8799 31.5145 178.5097 67 R 3.8646 7.5570 117.8134 59.6552 29.6008 178.0642 68 E 3.9390 8.4119 117.8311 59.7065 29.9190 178.3559 69 I 3.7366 7.8387 119.4728 63.7216 37.0098 177.3331 70 D 4.3304 8.5290 118.7462 57.9606 41.0273 179.2063 71 E 4.0831 8.1193 116.8026 58.3613 29.4781 177.5387 72 N 4.9879 8.1787 116.2422 52.9113 40.0224 177.0023 73 V 3.3299 7.7054 113.8188 64.7187 31.6101 179.0810 74 T 3.8109 7.4872 107.9174 64.4561 68.7060 175.1075 75 L 4.1793 7.2992 119.2558 55.6290 42.2985 177.1477 76 L 4.5502 7.3383 120.9574 53.5710 40.7950 177.7768 77 A 4.0569 7.7739 120.8892 54.6385 18.9904 177.8965 78 A 4.5522 7.7820 117.8934 52.4149 19.0159 176.1971 79 D 4.8952 7.5365 118.2655 53.9655 45.0193 175.1746 80 D 4.4899 8.5720 119.5152 54.9362 41.7372 177.0744 81 V 4.3224 7.9408 120.8503 61.4600 31.3777 173.6013 82 A 4.1752 7.6379 124.2834 51.6098 19.3338 178.0212 83 E 3.6104 8.5608 116.6062 58.5254 30.0247 177.2330 *89 F 4.5107 7.7562 118.0125 57.5219 40.9695 173.6950 90 R 5.1782 8.4258 121.2502 54.5664 32.2649 175.1358 91 V 4.4608 8.9956 126.0781 60.0639 35.1108 174.5879 92 D 5.0473 8.8039 124.3171 52.6365 40.3216 176.2553 93 V 3.5978 8.5213 127.8520 66.0626 31.6588 178.4256 94 R 3.9047 8.0765 116.8545 59.3436 29.8977 176.6985 95 D 4.7738 8.3460 115.3359 54.0747 40.9977 176.8268 96 V 4.1682 9.1362 120.1812 63.7661 33.3594 176.5635 97 V 3.7544 7.5731 118.9305 62.4216 32.0933 175.4361 98 E 4.1929 8.5708 126.1967 56.6849 30.2731 176.7603 99 E 3.8349 8.8064 116.2436 57.2956 27.3712 176.0393 100 A 4.0924 7.9114 122.4672 55.7479 18.6395 180.6536 101 D 4.4229 7.7257 113.9502 55.8776 39.5826 177.2540 102 D 4.9005 7.8786 118.1237 52.6450 40.0264 174.9711 103 A 4.6484 8.0857 122.5596 51.0832 21.3488 178.1690 104 D 4.3651 8.2860 122.2568 55.7541 41.6801 176.0528 105 Y 5.0935 6.3128 119.8632 56.9849 41.4130 171.5307 106 V 4.7952 9.8459 121.1303 61.2110 33.8814 174.3247 107 K 4.8697 9.0178 128.9274 54.7071 35.5697 174.6713 108 V 4.6527 8.6600 127.9098 61.7126 33.0485 174.3369 109 L 4.7988 9.2250 129.3981 53.4513 43.5612 176.0728 110 G 4.2141 8.6352 110.8554 45.5757 0.0000 173.0117 111 A 4.2277 8.6629 121.5195 54.4822 22.0089 175.5684 112 G 3.9905 9.2371 108.1561 44.8294 0.0000 172.3882 113 Q 4.2588 8.1816 118.0126 56.0549 29.6174 177.4263 114 V 4.7950 7.5503 116.4942 60.8580 31.6869 176.2383 115 R 4.2951 7.8412 124.6587 55.1277 29.3654 175.8928 116 H 4.8178 7.4714 112.0052 55.0956 33.3662 174.9209 117 E 4.9311 8.9293 119.0321 54.6575 30.2581 175.2542 118 L 5.0337 8.5343 124.2760 53.2183 45.5859 176.1199 119 T 5.2302 9.0111 120.6060 61.3515 68.3160 172.6214 120 L 4.9422 7.9307 124.8697 54.0910 44.0761 175.6186 121 I 5.7665 9.1862 122.7993 58.8064 40.6227 174.3972 122 A 4.7532 8.5785 127.3364 50.4452 22.8194 176.2352 123 D 4.2954 8.6554 118.1990 57.6452 42.0694 176.5103 124 D 4.5263 7.2736 114.5466 53.2926 45.0759 174.7507 125 F 5.5401 8.7507 122.2770 55.5278 42.9614 174.6921 126 S 4.5928 8.5901 114.8443 57.6162 64.4729 174.9790 127 E 4.0521 9.1681 121.9031 59.3726 29.1354 179.5419 128 G 3.6783 8.0509 104.9615 47.3723 0.0000 175.3831 129 A 4.0989 7.8798 122.2256 55.1368 18.4343 179.8121 130 R 3.8478 7.8923 116.6123 59.3134 30.2173 178.5473 131 E 4.0014 7.6999 117.1958 59.9782 29.4219 180.0908 132 K 4.1443 7.9464 116.6959 58.8502 32.3305 179.2187 133 V 3.8471 8.3078 119.5124 65.5279 31.7087 177.6793 134 E 4.8910 7.4921 119.1293 58.9497 29.2625 179.3712 135 G 3.7994 8.4067 103.8565 46.3203 0.0000 173.5465 136 A 4.6080 8.0425 124.4620 51.9381 20.1368 176.6096 137 G 4.2234 8.0835 104.9747 47.4204 0.0000 173.1557 138 G 4.3480 7.2445 104.8235 45.3651 0.0000 171.4734 139 S 5.3507 8.3904 113.7386 56.2464 66.5372 173.3601 140 V 4.6967 7.9712 118.8620 59.9977 34.1206 174.3130 141 E 4.7093 9.8115 125.2148 54.3283 32.3512 174.8595 142 L 4.6545 8.6874 126.9888 54.3686 42.2630 176.2445 143 T 3.9975 8.5086 124.0736 63.8375 69.6825 175.0167 144 D 5.2012 8.9457 122.0599 57.1980 41.0338 178.9954 145 L 3.8484 8.0151 119.2272 58.1089 42.2537 178.3237 146 G 4.2826 7.6151 105.5055 47.2955 0.0000 174.3140 147 E 4.5337 8.0613 120.4572 56.9512 28.9856 177.5261 148 E 4.8677 8.2657 114.4616 56.2360 30.4159 177.4277 149 R 4.2190 7.6912 119.4327 53.6932 28.6047 176.3099 150 Q 4.2704 7.5637 121.7463 56.8671 29.1846 173.0869 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 1 T 8.16 4.27 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 2 S 8.36 4.27 0.00 4.10 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 0.00 3 K 9.29 4.03 0.00 1.84 1.82 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.52 7.81 4 K 8.00 3.89 0.00 1.84 1.90 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.55 7.81 5 K 7.84 3.81 0.00 1.74 2.06 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 6 R 8.53 4.31 0.00 1.93 1.92 0.00 3.17 0.00 0.00 3.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 7 Q 8.18 4.27 0.00 1.95 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.96 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 8 R 6.94 3.82 0.00 1.77 1.92 0.00 3.32 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 9 G 9.01 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 10 S 8.19 4.11 0.00 3.95 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 11 R 7.57 4.29 0.00 2.12 2.13 0.00 3.25 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 12 T 7.65 4.29 4.34 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 1.34 0.00 0.00 13 H 8.63 4.60 0.00 3.25 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.34 4.16 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 0.00 0.00 0.00 15 G 8.22 4.04 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 0.00 0.00 0.00 16 G 7.90 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 0.00 0.00 0.00 17 S 9.18 4.24 0.00 3.88 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 18 H 9.06 3.93 0.00 3.32 3.45 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.47 4.11 0.00 1.71 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.44 7.81 20 N 8.44 4.40 0.00 2.60 2.72 0.00 0.00 6.95 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 21 R 7.65 4.50 0.00 1.81 1.93 0.00 3.21 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 22 R 8.15 4.23 0.00 1.79 1.43 0.00 3.27 0.00 0.00 3.21 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 23 G 8.84 4.21 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 0.00 0.00 0.00 24 A 8.57 4.28 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 25 G 7.98 3.54 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 0.00 26 H 7.79 4.16 0.00 3.16 3.44 0.00 5.75 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.84 4.39 0.00 1.82 1.94 0.00 3.28 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 28 G 7.60 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 0.00 0.00 0.00 29 G 7.65 4.21 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 0.00 0.00 0.00 30 R 8.47 4.06 0.00 1.82 1.89 0.00 3.31 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 31 G 8.40 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 0.00 0.00 0.00 32 D 8.76 4.73 0.00 2.74 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 33 A 7.60 4.06 1.36 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 0.00 0.00 0.00 34 G 9.00 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 0.00 0.00 0.00 35 R 7.70 3.89 0.00 2.08 2.36 0.00 2.79 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 1.64 1.63 0.00 36 D 7.79 4.93 0.00 2.72 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 37 K 8.72 4.39 0.00 1.76 1.71 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.51 7.81 38 H 9.38 4.55 0.00 3.30 3.44 0.00 5.49 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.38 4.61 0.00 1.74 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 2.18 2.20 0.00 40 F 7.87 4.71 0.00 3.01 3.25 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 0.00 41 H 6.87 3.53 0.00 2.91 3.05 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.91 4.26 0.00 2.89 2.96 0.00 0.00 6.96 8.16 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 43 H 8.11 4.67 0.00 3.28 3.26 0.00 5.94 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 44 E 8.91 3.81 0.00 1.97 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 2.33 2.30 0.00 45 P 0.00 4.33 0.00 2.18 2.12 0.00 3.79 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 2.02 2.05 0.00 46 L 8.20 4.07 0.00 1.66 1.65 0.92 0.91 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 47 G 7.72 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.64 0.00 1.74 1.73 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.39 7.81 49 S 8.07 4.52 0.00 3.77 3.67 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 0.00 0.00 0.00 0.00 50 G 8.83 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 51 F 8.15 5.04 0.00 3.11 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 52 K 8.51 4.41 0.00 1.73 1.67 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.39 7.81 53 R 8.33 4.69 0.00 1.84 1.93 0.00 3.46 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.84 0.00 54 P 0.00 4.12 0.00 2.23 2.24 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 55 Q 8.98 3.94 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.60 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 56 K 7.91 4.49 0.00 1.86 1.89 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 8.01 4.41 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 8.04 4.58 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 59 E 8.69 4.85 0.00 2.01 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 2.80 2.30 0.00 60 E 8.48 4.45 0.00 1.95 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 2.17 2.20 0.00 61 A 8.09 4.13 0.34 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 0.00 0.00 62 A 8.81 4.40 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 63 T 8.27 5.55 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 1.18 0.00 0.00 64 I 7.87 4.60 1.87 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 1.36 1.35 0.93 0.00 0.00 65 D 8.63 5.69 0.00 2.75 2.57 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 0.00 0.00 0.00 66 V 8.65 3.65 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 0.91 0.00 0.00 1.01 0.00 0.00 67 R 7.56 3.86 0.00 1.82 1.99 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 8.41 3.94 0.00 1.95 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 2.32 2.35 0.00 69 I 7.84 3.74 2.02 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 1.54 0.39 0.91 0.00 0.00 70 D 8.53 4.33 0.00 2.94 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 E 8.12 4.08 0.00 1.97 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 2.64 0.00 72 N 8.18 4.99 0.00 2.61 2.71 0.00 0.00 6.83 7.65 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 73 V 7.71 3.33 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 0.00 0.00 0.59 0.00 0.00 0.39 0.00 0.00 74 T 7.49 3.81 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 1.16 0.00 0.00 75 L 7.30 4.18 0.00 1.75 1.73 0.93 0.91 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 76 L 7.34 4.55 0.00 1.90 1.77 0.94 0.72 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 77 A 7.77 4.06 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 78 A 7.78 4.55 1.28 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 0.00 0.00 0.00 79 D 7.54 4.90 0.00 2.81 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 80 D 8.57 4.49 0.00 3.16 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 81 V 7.94 4.32 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 0.48 0.00 0.00 1.02 0.00 0.00 82 A 7.64 4.18 1.24 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 0.00 0.00 83 E 8.56 3.61 0.00 2.04 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 2.26 2.35 0.00 *89 F 7.76 4.51 0.00 3.05 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 90 R 8.43 5.18 0.00 1.84 1.82 0.00 3.22 0.00 0.00 3.46 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 91 V 9.00 4.46 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 0.72 0.00 0.00 0.96 0.00 0.00 92 D 8.80 5.05 0.00 2.81 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 93 V 8.52 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 0.91 0.00 0.00 1.06 0.00 0.00 94 R 8.08 3.90 0.00 2.04 2.03 0.00 3.25 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 95 D 8.35 4.77 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.14 4.17 2.16 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 0.76 0.00 0.00 0.94 0.00 0.00 97 V 7.57 3.75 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 0.83 0.00 0.00 0.98 0.00 0.00 98 E 8.57 4.19 0.00 2.06 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 2.39 2.32 0.00 99 E 8.81 3.83 0.00 2.09 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 2.19 2.27 0.00 100 A 7.91 4.09 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 0.00 101 D 7.73 4.42 0.00 2.79 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 0.00 102 D 7.88 4.90 0.00 2.74 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 0.00 103 A 8.09 4.65 1.24 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 0.00 0.00 104 D 8.29 4.37 0.00 2.75 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 0.00 105 Y 6.31 5.09 0.00 3.21 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 0.00 106 V 9.85 4.80 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 0.93 0.00 0.00 0.92 0.00 0.00 107 K 9.02 4.87 0.00 2.07 1.64 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.52 7.81 108 V 8.66 4.65 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 1.13 0.00 0.00 0.97 0.00 0.00 109 L 9.22 4.80 0.00 1.73 1.59 0.93 1.08 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 0.00 110 G 8.64 4.21 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 0.00 0.00 0.00 111 A 8.66 4.23 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 0.00 112 G 9.24 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 0.00 0.00 0.00 113 Q 8.18 4.26 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.28 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 114 V 7.55 4.79 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 1.22 0.00 0.00 0.94 0.00 0.00 115 R 7.84 4.30 0.00 1.72 1.83 0.00 3.27 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 116 H 7.47 4.82 0.00 3.16 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.93 4.93 0.00 2.27 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 0.00 2.32 2.22 0.00 118 L 8.53 5.03 0.00 1.61 1.60 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.01 5.23 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 1.23 0.00 0.00 120 L 7.93 4.94 0.00 1.56 1.81 0.94 0.80 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 0.00 121 I 9.19 5.77 2.03 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 1.20 1.32 1.08 0.00 0.00 122 A 8.58 4.75 0.73 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 0.00 0.00 123 D 8.66 4.30 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 0.00 124 D 7.27 4.53 0.00 2.46 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 0.00 0.00 0.00 0.00 125 F 8.75 5.54 0.00 2.89 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 0.00 126 S 8.59 4.59 0.00 3.95 4.04 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 0.00 127 E 9.17 4.05 0.00 2.04 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 2.40 2.36 0.00 128 G 8.05 3.68 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 0.00 0.00 0.00 129 A 7.88 4.10 1.52 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 0.00 0.00 130 R 7.89 3.85 0.00 1.96 1.92 0.00 3.17 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.82 0.00 131 E 7.70 4.00 0.00 2.29 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 2.57 0.00 132 K 7.95 4.14 0.00 1.74 1.89 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.60 7.81 133 V 8.31 3.85 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 1.02 0.00 0.00 0.96 0.00 0.00 134 E 7.49 4.89 0.00 2.01 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 2.41 2.18 0.00 135 G 8.41 3.80 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 0.00 0.00 0.00 136 A 8.04 4.61 1.45 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 0.00 0.00 137 G 8.08 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 0.00 138 G 7.24 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.39 5.35 0.00 3.89 3.94 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 0.00 140 V 7.97 4.70 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 0.28 0.00 0.00 -0.43 0.00 0.00 141 E 9.81 4.71 0.00 1.88 1.93 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 2.24 2.22 0.00 142 L 8.69 4.65 0.00 1.77 1.66 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.51 4.00 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 1.24 0.00 0.00 144 D 8.95 5.20 0.00 2.70 2.74 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 0.00 0.00 0.00 145 L 8.02 3.85 0.00 1.59 1.77 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.62 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 0.00 0.00 0.00 0.00 147 E 8.06 4.53 0.00 2.20 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 2.33 2.43 0.00 148 E 8.27 4.87 0.00 1.94 1.93 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 2.11 2.56 0.00 149 R 7.69 4.22 0.00 1.81 1.93 0.00 3.43 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 150 Q 7.56 4.27 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.