NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0570 8.0549 120.3940 61.8994 33.5033 175.6346 4 L 3.8609 7.9175 119.0823 54.1743 41.9312 174.6603 5 Q 4.6103 9.0518 120.4195 54.4935 32.9200 173.5872 6 V 4.3555 8.0890 111.7382 59.9724 32.7497 176.4900 7 L 4.3979 8.9577 125.7339 55.0527 43.0181 176.1343 8 T 5.0086 8.3087 111.6617 59.4097 71.8953 172.9407 9 F 4.7556 9.1792 127.8745 57.9454 40.0827 173.0503 10 P 4.4054 0.0000 0.0000 62.3426 32.1474 175.4457 11 D 4.3489 8.1199 119.4346 55.4921 41.7539 176.5159 12 D 4.4607 8.7296 125.2303 57.0113 41.3676 178.2260 13 R 3.9870 8.8779 118.9483 58.8324 30.0185 178.3811 14 L 4.2720 8.1150 118.4389 56.6032 41.4669 178.2952 15 R 4.7220 7.6277 117.8080 54.9576 30.6995 176.5629 16 T 3.9606 7.1353 117.0951 63.5722 69.0611 174.1288 17 V 4.1681 8.3489 126.5407 61.9201 32.1455 175.5354 18 A 4.3333 8.8285 130.9273 52.1532 19.1511 176.8945 19 K 4.4901 8.8539 120.6947 54.4354 34.3257 174.7988 20 P 4.7937 0.0000 0.0000 62.8798 32.0679 176.3686 21 V 3.8642 9.6245 124.6073 62.7516 32.2579 176.0303 22 E 4.2731 8.8558 126.7080 58.6463 29.9816 177.0548 23 Q 4.4597 7.5439 114.7319 54.1872 32.6861 175.2743 24 V 3.8841 8.3168 122.3789 62.2910 30.4986 175.9004 25 T 4.4998 7.8361 118.0555 59.3101 72.2331 173.3408 26 P 4.5675 0.0000 0.0000 65.0873 31.1908 178.5192 27 E 3.9579 8.1436 117.6540 59.2598 29.5162 178.8045 28 I 3.7229 7.6702 119.3800 64.5423 36.7881 178.2925 29 Q 3.9916 8.5225 119.3101 59.0600 28.4118 178.9480 30 Q 3.9738 8.4436 120.8832 59.1315 28.8924 178.1454 31 I 3.6612 7.5370 119.7023 64.4379 37.2540 177.9318 32 V 3.7487 7.7473 117.7284 66.4258 31.5582 177.4176 33 D 4.6042 8.2380 118.1935 57.3966 40.6594 179.4542 34 D 4.6616 8.2185 117.0642 54.7655 40.4018 178.3978 *36 L 4.1114 7.8178 120.6876 54.9584 43.8582 178.1829 37 E 4.2418 8.3952 117.9342 60.0427 29.6568 179.7627 38 T 3.8695 8.0613 110.9882 65.2129 68.2990 175.3631 *40 Y 4.7404 7.9842 121.0964 58.1581 39.7363 177.3890 41 A 4.0052 8.1792 121.1900 55.0567 18.4959 177.9732 42 E 4.3331 8.3635 112.7772 55.7965 29.7705 176.0263 43 E 3.8606 8.1101 117.9227 57.2299 27.6674 175.0355 44 G 3.9638 7.9574 105.5381 44.9557 0.0000 174.0227 45 I 4.3890 7.4824 111.1539 59.8911 39.1952 175.1166 46 G 4.3951 7.6813 108.2185 45.4319 0.0000 172.1362 47 L 4.7406 9.0082 122.1406 53.5712 46.1991 173.9947 48 A 5.2004 8.4862 126.7012 49.9307 21.5792 177.3059 49 A 3.9311 8.8000 124.1532 55.7361 19.0464 180.2300 50 T 3.9291 8.1743 112.1097 67.3111 68.4245 176.4342 51 Q 4.1293 8.2321 119.3193 57.9133 28.3227 178.1086 52 V 4.6424 7.3934 113.3766 59.7445 32.4918 174.9501 53 D 4.3355 8.0421 115.9582 55.5529 39.7304 173.6715 54 I 4.2506 7.6453 117.8112 59.6572 39.4804 176.5320 55 H 4.8879 8.3813 127.8909 55.3592 26.9514 174.4803 56 Q 5.0348 7.5607 115.8796 54.1378 33.3498 178.4373 57 R 4.3824 8.6369 121.6500 55.2535 29.2004 173.9964 58 I 5.0561 7.7958 121.6444 59.2223 41.1260 174.3906 59 V 5.1132 9.2340 126.3418 61.0827 35.4945 174.4438 60 V 4.8505 8.5548 123.7278 60.2292 34.7690 174.3141 61 I 4.9611 8.1128 122.3268 60.0890 42.3474 173.9346 62 D 4.6982 9.1005 126.1241 53.4107 43.5962 175.1467 63 I 4.3346 8.4019 119.0951 60.4962 38.2859 176.0786 64 S 4.4902 8.5469 116.6204 57.8917 63.8292 174.4259 65 E 4.1004 8.7025 122.0778 59.5717 29.0698 178.2637 66 T 4.1233 7.9055 106.9683 61.5388 69.4721 174.9362 67 R 4.3490 7.6941 120.2477 57.5166 28.0171 175.8181 68 D 4.8752 7.7165 114.5131 53.5117 40.5264 175.6175 69 Q 4.6625 8.4701 114.1333 55.1799 29.0595 173.1941 70 P 4.8320 0.0000 0.0000 61.8962 32.8236 175.6235 *72 V 4.0010 8.0156 116.8059 63.2573 32.5596 175.4914 73 L 4.8876 9.0998 127.5075 53.3051 44.4620 175.0946 74 I 4.7196 9.0333 125.8519 59.9688 39.6067 176.1933 75 N 4.2988 9.0742 124.2915 53.4608 36.7348 173.1879 76 P 4.5609 0.0000 0.0000 62.8415 32.6200 175.2136 77 E 4.6271 9.0400 121.4398 54.5119 33.2013 174.3056 78 I 4.4048 8.3151 127.4803 60.7406 37.2136 175.7576 79 I 3.9976 8.8305 129.8690 63.7933 37.8319 176.4190 80 E 4.7298 7.8716 120.7220 54.6886 33.0792 174.0154 81 K 5.1287 8.6183 124.3206 54.7377 35.3227 175.6987 82 R 4.4786 8.6302 121.8880 55.5847 34.5676 176.9385 83 G 4.0516 8.9187 111.8399 44.7406 0.0000 171.5084 84 E 5.0634 8.1910 116.1530 55.0290 33.5834 174.6078 85 D 4.5334 8.5180 121.6319 53.6751 45.6251 173.8421 86 G 4.4282 7.8911 104.8275 45.6806 0.0000 172.5383 87 I 4.8472 7.5252 115.3369 58.3759 42.0893 173.4471 88 E 4.4241 8.6925 123.3338 56.2860 29.9778 175.5852 89 E 4.5684 9.1106 126.3188 54.4804 33.3766 175.0593 90 G 4.2514 7.7378 107.8810 45.0401 0.0000 171.3377 91 C 4.7491 8.1076 116.3424 58.2227 34.3512 174.6890 92 L 4.0317 8.7334 127.2973 57.8797 41.5304 178.2168 93 S 4.7731 7.7517 112.8800 58.9504 63.6217 173.8079 94 V 4.5196 7.9534 120.3647 60.0815 31.0657 172.3558 95 P 4.4677 0.0000 0.0000 63.6435 32.1382 177.5399 96 G 3.9521 9.0638 110.0472 45.2355 0.0000 172.8644 97 A 4.8406 7.6413 122.2186 50.4720 20.7575 176.4227 98 R 5.0979 8.3428 120.2023 54.7003 34.1673 174.4986 99 A 4.6738 8.6280 122.3134 50.4382 23.2891 175.4377 100 L 4.7272 8.5840 122.7262 54.9330 42.8139 176.4435 101 V 4.5296 8.1433 125.5514 60.2038 34.0960 173.0652 102 P 4.6687 0.0000 0.0000 63.1231 32.2955 175.5094 103 R 4.7093 8.7569 120.1733 54.6146 35.3910 174.0701 104 A 4.8062 9.0903 122.0546 51.6238 18.6166 178.0583 105 A 4.1712 8.6646 122.4098 54.5079 19.7355 177.5016 106 E 5.0930 8.7640 113.5018 54.9018 34.1983 175.6676 107 V 4.9054 8.6593 114.0010 60.1900 36.9117 174.1926 108 T 4.8040 8.7249 120.0895 61.7849 71.0132 173.6158 109 V 4.6006 8.3137 125.9261 60.6764 35.0615 173.9548 110 K 4.8893 8.2300 127.5045 54.7612 35.3515 174.5001 111 A 4.6120 8.3011 126.2972 51.5635 23.5395 174.7269 112 L 5.2118 8.6762 119.7279 53.5823 44.2769 177.4969 113 D 5.0757 9.1051 122.7101 52.1781 41.3587 176.9455 114 R 3.9861 8.5437 118.1607 58.9377 29.9790 176.7872 115 N 4.7064 8.7326 113.7504 52.8650 38.7948 175.6271 116 G 3.8904 8.2100 106.2957 45.5165 0.0000 173.3115 117 Q 4.2805 8.0404 121.9507 55.1749 30.1088 174.7298 118 E 4.9342 8.9053 128.3201 56.6531 30.7593 174.9447 119 Y 5.1016 9.4588 123.4057 56.0567 42.1434 173.1611 120 Q 5.1061 8.7351 120.0018 54.6448 32.5784 173.5968 121 F 5.0725 8.6649 118.8250 55.9726 41.8494 172.4684 122 D 5.4512 8.8346 118.8509 52.8710 43.1025 175.8677 123 A 4.9835 9.0664 122.9802 50.6021 23.3964 174.9466 124 D 5.1607 8.0357 118.6108 50.6453 43.5183 176.1372 125 D 4.1066 8.8629 118.6009 55.7117 39.8338 176.6350 126 L 3.9498 8.4811 125.6730 58.9259 41.8133 178.2052 127 L 3.9164 7.9060 119.7815 58.0391 42.1428 178.4788 128 A 4.0364 7.8701 120.2388 55.3314 18.1991 179.7723 129 I 3.6007 7.5162 118.2579 64.6546 37.1732 178.2281 130 C 4.0316 8.3035 119.8232 62.3080 31.3212 175.6345 131 V 3.6201 8.1640 120.2133 66.3268 31.1574 178.1026 132 Q 4.0151 8.0439 117.6522 58.9993 28.3889 178.1284 133 H 4.0182 8.4336 119.4299 59.4619 29.7171 177.2280 134 E 4.1242 8.6387 120.6794 59.5275 29.2947 179.4559 135 L 4.1587 8.4680 119.3349 57.5591 41.5281 179.1856 136 D 4.3991 8.1613 119.2332 57.8444 40.7906 178.4169 137 H 4.3988 7.8913 117.6483 58.3875 28.6373 177.7299 138 L 4.2106 7.9559 119.6023 56.6375 41.1601 178.1179 139 A 4.5829 7.7139 120.1995 51.5938 19.0086 177.2209 140 G 4.1623 8.2644 105.4159 46.8280 0.0000 173.4367 141 K 4.7983 8.1576 120.2907 54.0536 34.5076 175.1020 142 L 4.7768 8.6652 124.4618 52.0997 45.1206 177.9057 143 F 4.4906 8.6912 116.6101 60.0724 37.7471 178.0262 144 V 3.2003 6.7448 112.2685 63.6755 30.9818 177.6949 145 D 4.3042 7.9074 118.4247 56.8496 40.6299 177.3446 146 Y 4.2374 7.8267 115.2402 57.7848 38.3808 175.4370 147 L 4.5285 7.0769 120.4769 53.0224 43.4392 177.0490 148 S 4.3209 8.2546 114.7951 58.0434 64.7399 173.5183 149 P 4.2399 0.0000 0.0000 65.8820 31.2147 179.1089 150 L 4.0550 7.8408 117.3713 57.4630 41.6287 179.3600 151 K 3.9412 8.0219 119.5425 59.5055 32.1563 178.9696 152 R 3.9034 8.1553 119.0995 59.5194 29.9378 178.2401 153 N 4.3696 8.6751 116.8451 56.0795 38.4858 177.4222 154 R 3.8623 7.9890 120.0585 59.5082 30.2719 178.4369 155 I 3.7424 7.6850 119.5369 64.3430 37.0921 178.1925 156 K 3.7429 8.3888 120.2593 59.6954 32.0135 178.6606 157 E 4.0936 8.3249 118.8295 59.3368 29.2643 179.5706 158 K 3.9750 8.1260 118.5429 59.4959 31.8984 179.4742 159 L 4.0550 7.8254 118.2232 57.6295 41.9106 178.9332 160 E 4.0192 8.5034 119.0621 59.3365 29.5020 179.3397 161 K 3.7761 8.1202 118.4580 59.7923 31.9254 179.3156 162 I 3.8181 7.4375 118.2299 63.4449 37.2509 177.6540 163 K 4.5395 7.5672 116.9985 55.9132 32.1992 178.2251 164 R 3.8271 7.5302 117.0787 58.2397 29.3367 177.3582 165 F 4.8310 7.6957 115.1774 56.9670 39.6448 175.5209 166 N 4.3406 8.0155 119.6667 54.3083 38.9038 174.8780 167 E 4.1267 8.8172 119.0049 56.9239 30.7219 174.1521 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 3 V 8.05 4.06 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 1.00 0.00 0.00 0.94 0.00 0.00 4 L 7.92 3.86 0.00 1.76 1.61 0.92 0.54 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 5 Q 9.05 4.61 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 6 V 8.09 4.36 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 0.74 0.00 0.00 1.00 0.00 0.00 7 L 8.96 4.40 0.00 1.56 1.63 0.99 0.55 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 8 T 8.31 5.01 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 1.31 0.00 0.00 9 F 9.18 4.76 0.00 2.87 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 10 P 0.00 4.41 0.00 1.86 1.13 0.00 3.61 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 11 D 8.12 4.35 0.00 2.86 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.73 4.46 0.00 2.82 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 13 R 8.88 3.99 0.00 2.03 2.03 0.00 3.44 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 1.66 1.68 0.00 14 L 8.12 4.27 0.00 1.95 1.81 1.06 0.93 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 15 R 7.63 4.72 0.00 1.90 1.97 0.00 3.39 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 16 T 7.14 3.96 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 1.00 0.00 0.00 17 V 8.35 4.17 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 0.76 0.00 0.00 0.93 0.00 0.00 18 A 8.83 4.33 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 19 K 8.85 4.49 0.00 1.72 1.73 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 20 P 0.00 4.79 0.00 1.94 2.00 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 2.10 0.00 21 V 9.62 3.86 2.21 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 0.77 0.00 0.00 0.94 0.00 0.00 22 E 8.86 4.27 0.00 2.01 1.99 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 2.30 2.33 0.00 23 Q 7.54 4.46 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.21 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 24 V 8.32 3.88 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 0.87 0.00 0.00 0.96 0.00 0.00 25 T 7.84 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 1.22 0.00 0.00 26 P 0.00 4.57 0.00 2.18 2.15 0.00 3.88 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 2.12 2.01 0.00 27 E 8.14 3.96 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 2.38 2.41 0.00 28 I 7.67 3.72 1.99 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 1.53 0.99 0.93 0.00 0.00 29 Q 8.52 3.99 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 30 Q 8.44 3.97 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 31 I 7.54 3.66 2.04 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 1.41 0.84 0.91 0.00 0.00 32 V 7.75 3.75 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 0.84 0.00 0.00 0.95 0.00 0.00 33 D 8.24 4.60 0.00 2.88 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 34 D 8.22 4.66 0.00 2.81 2.68 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 *36 L 7.82 4.11 0.00 1.89 1.87 0.97 0.84 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 37 E 8.40 4.24 0.00 2.22 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 2.40 2.50 0.00 38 T 8.06 3.87 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 1.21 0.00 0.00 *40 Y 7.98 4.74 0.00 3.07 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 41 A 8.18 4.01 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 42 E 8.36 4.33 0.00 1.98 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 2.46 2.43 0.00 43 E 8.11 3.86 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 2.30 2.27 0.00 44 G 7.96 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 45 I 7.48 4.39 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.91 0.00 0.00 46 G 7.68 4.40 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 0.00 47 L 9.01 4.74 0.00 1.67 1.40 0.89 1.34 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 48 A 8.49 5.20 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 49 A 8.80 3.93 1.48 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 0.00 0.00 50 T 8.17 3.93 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 1.31 0.00 0.00 51 Q 8.23 4.13 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 52 V 7.39 4.64 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 0.99 0.00 0.00 0.97 0.00 0.00 53 D 8.04 4.34 0.00 2.82 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 54 I 7.65 4.25 1.82 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 1.38 0.93 0.89 0.00 0.00 55 H 8.38 4.89 0.00 3.11 3.28 0.00 5.56 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.56 5.03 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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124 D 8.04 5.16 0.00 2.76 2.78 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 0.00 125 D 8.86 4.11 0.00 2.86 2.21 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 0.00 126 L 8.48 3.95 0.00 1.73 1.64 0.87 0.42 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 0.00 127 L 7.91 3.92 0.00 1.81 1.69 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.87 4.04 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 0.00 129 I 7.52 3.60 1.96 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 1.57 0.83 0.87 0.00 0.00 130 C 8.30 4.03 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 131 V 8.16 3.62 2.32 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 1.03 0.00 0.00 1.14 0.00 0.00 132 Q 8.04 4.02 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 133 H 8.43 4.02 0.00 3.28 3.47 0.00 5.78 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 0.00 134 E 8.64 4.12 0.00 2.08 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 2.59 2.52 0.00 135 L 8.47 4.16 0.00 1.66 1.73 0.90 1.00 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 0.00 136 D 8.16 4.40 0.00 3.05 2.91 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 0.00 137 H 7.89 4.40 0.00 3.40 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.96 4.21 0.00 1.85 1.74 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.71 4.58 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 0.00 140 G 8.26 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 0.00 141 K 8.16 4.80 0.00 1.76 1.73 0.00 1.54 0.00 0.00 1.89 0.00 0.00 2.51 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.51 1.41 7.81 142 L 8.67 4.78 0.00 1.43 1.26 0.81 1.18 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 0.00 143 F 8.69 4.49 0.00 3.26 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 0.00 144 V 6.74 3.20 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 -0.09 0.00 0.00 145 D 7.91 4.30 0.00 2.46 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 7.83 4.24 0.00 3.08 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 0.00 147 L 7.08 4.53 0.00 1.79 1.59 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 148 S 8.25 4.32 0.00 4.05 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 0.00 149 P 0.00 4.24 0.00 2.18 2.14 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 150 L 7.84 4.06 0.00 1.69 1.72 0.92 0.61 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 0.00 151 K 8.02 3.94 0.00 1.87 1.93 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.46 7.81 152 R 8.16 3.90 0.00 1.99 2.02 0.00 3.25 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 153 N 8.68 4.37 0.00 2.79 3.04 0.00 0.00 6.65 7.28 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 0.00 154 R 7.99 3.86 0.00 1.92 2.08 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 155 I 7.69 3.74 2.14 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 1.45 0.88 1.04 0.00 0.00 156 K 8.39 3.74 0.00 1.96 1.93 0.00 1.50 0.00 0.00 1.41 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.14 0.70 7.81 157 E 8.32 4.09 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 2.29 2.36 0.00 158 K 8.13 3.98 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.79 7.81 159 L 7.83 4.06 0.00 1.83 1.72 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.50 4.02 0.00 2.02 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 2.19 2.41 0.00 161 K 8.12 3.78 0.00 2.03 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 162 I 7.44 3.82 2.06 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 1.54 0.61 0.93 0.00 0.00 163 K 7.57 4.54 0.00 1.77 1.76 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.40 7.81 164 R 7.53 3.83 0.00 1.60 1.96 0.00 2.64 0.00 0.00 2.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 165 F 7.70 4.83 0.00 3.08 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 0.00 166 N 8.02 4.34 0.00 2.83 2.78 0.00 0.00 6.94 7.16 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 0.00 167 E 8.82 4.13 0.00 2.23 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 2.17 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.