NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 K 4.2856 8.3144 120.1339 56.5663 33.5368 174.4876 23 Q 4.3838 8.1513 119.5662 53.8235 31.5584 168.0898 24 V 4.1703 8.4664 125.4817 61.1659 33.7679 174.6512 25 T 3.9799 8.2682 122.1048 61.9130 67.9336 173.0171 26 N 4.7580 8.4366 126.1281 51.5668 39.6769 173.0325 27 P 4.3357 0.0000 0.0000 62.6309 32.6963 175.1477 28 I 4.2198 8.3321 126.1068 60.4063 38.7042 174.1869 29 D 4.5052 8.5696 128.2323 52.7847 42.9868 174.8874 30 E 3.5574 8.6388 118.1456 57.6646 28.4407 174.6238 31 K 4.3853 8.6934 119.1490 56.3512 32.7602 176.7527 32 N 4.6536 7.8879 114.5377 52.7988 39.4400 175.7112 33 G 4.0112 8.0901 104.5962 46.3882 0.0000 172.8277 34 T 4.6938 7.5002 115.4685 61.8642 70.9126 174.4893 35 S 4.8721 8.7520 121.1208 55.9162 63.4022 173.0013 36 N 4.1534 8.5152 123.2214 54.5962 38.8988 173.7748 37 C 4.6142 9.0257 121.2700 59.3774 30.6422 173.1260 38 I 4.9480 7.8316 120.9501 60.2790 37.8714 175.5367 39 V 4.4952 8.5649 126.3012 59.7649 34.8707 174.3131 40 R 4.4064 8.3611 122.8812 54.7256 31.5012 175.7577 41 V 4.2849 8.8091 126.0906 59.1641 33.9035 173.1762 42 P 5.0013 0.0000 0.0000 62.0027 32.0907 176.0872 43 I 4.7704 8.9459 115.9087 59.5400 41.4036 173.2853 44 A 5.4102 8.7345 125.3448 50.1773 21.4366 175.5102 45 L 4.9759 9.2396 121.7828 54.1502 44.5061 175.2258 46 Y 3.9878 8.2894 122.5872 56.0313 39.3663 174.7158 47 V 4.0964 7.8821 127.1434 59.9533 34.3619 175.5408 48 S 4.6068 8.4272 118.3752 57.0203 61.0601 172.6017 49 L 4.1962 8.0270 125.8070 54.5771 42.6681 176.1091 50 A 4.4809 8.6816 126.9712 49.8966 20.0636 176.9629 51 P 4.3145 0.0000 0.0000 62.9583 30.4822 177.4107 *53 Y 4.7109 7.9022 113.5308 58.7327 39.4917 175.6393 54 L 4.1981 7.4879 120.7485 55.6049 42.2305 178.0351 55 E 3.9018 9.6479 119.2109 56.9307 29.3593 174.2089 56 N 4.9066 7.5663 113.8461 51.9966 40.7457 173.3653 57 P 4.2843 0.0000 0.0000 65.3495 31.7175 178.2106 58 L 3.9004 7.8316 119.5581 58.4829 42.2478 178.6739 59 Q 4.1803 8.0500 115.5415 58.0545 28.6977 178.6756 60 G 2.7695 7.0218 106.3032 47.0450 0.0000 177.5306 61 V 3.6768 8.0288 124.1474 61.5735 30.3385 176.4507 *63 K 4.4905 7.8251 111.3049 55.9620 33.6755 177.0669 64 Q 4.4223 7.9691 117.7874 56.2227 32.8447 174.5299 65 H 4.7423 8.0162 113.4188 57.3808 31.5265 176.3895 66 L 4.5647 7.5266 113.2599 54.9872 41.0169 178.3192 67 N 4.2010 9.7528 125.3022 58.0352 38.4925 173.7110 68 P 4.3030 0.0000 0.0000 65.2635 31.6945 176.7861 69 L 4.4481 7.7103 115.9536 56.2201 43.3468 177.2447 70 V 4.5656 7.7407 119.5459 62.0159 31.0634 176.6108 *72 K 4.2412 7.6437 117.8395 56.2433 33.4762 176.9628 73 Y 4.3274 8.9245 126.1664 58.5169 40.0028 174.6356 74 N 5.2361 8.2329 122.4241 52.2385 42.6412 174.9150 75 N 4.7094 9.0189 121.5666 55.8643 39.4386 177.7616 76 K 3.9728 8.2044 116.9212 58.9025 32.1762 178.1415 77 V 4.0649 7.8422 108.7504 60.6291 32.5645 176.5327 78 G 3.9214 7.7685 108.0284 44.5266 0.0000 172.4148 79 G 3.5985 6.5754 107.7954 45.4414 0.0000 172.5645 80 V 4.1717 8.5107 121.0430 62.6697 33.0529 175.4782 81 V 4.4496 8.4347 127.9394 61.7137 31.0799 175.8796 82 L 4.1666 9.1538 129.3228 56.0175 42.3088 177.9099 83 G 4.3083 7.4062 106.9824 46.4117 0.0000 171.0998 84 Y 5.6010 7.8962 117.9874 55.1861 41.1830 174.6223 85 E 4.4617 9.4267 120.7646 55.2993 33.5961 175.6393 86 G 3.6796 8.9516 113.5938 46.0008 0.0000 173.0481 87 L 3.9460 8.2851 120.4333 55.3298 42.3091 176.3283 88 K 4.4764 9.1849 126.7922 54.6080 33.7259 176.1370 89 I 4.0894 8.4035 127.5669 63.0052 38.3312 177.6135 90 L 4.0986 8.1029 119.2617 57.1954 42.1292 178.0024 91 D 4.7120 8.5826 120.8339 52.7895 39.2729 176.8469 92 A 4.3479 7.1562 118.1563 51.9787 21.9430 175.9247 93 D 4.5075 8.4354 118.9896 53.1263 42.7984 173.6028 94 P 4.2155 0.0000 0.0000 64.0743 32.0222 176.1570 *112 P 4.1463 0.0000 0.0000 62.6767 32.5665 176.2680 113 F 3.9916 8.2598 112.8140 60.2515 35.4108 178.8624 114 G 3.5755 7.0414 110.0132 46.2489 0.0000 174.7416 115 F 4.9993 6.9676 117.4349 55.8817 42.0560 174.7330 116 T 4.3336 7.6791 110.3195 61.6654 71.0926 171.9431 117 W 5.2999 9.0322 126.8752 55.9935 30.8128 175.2560 118 C 5.1931 9.2463 117.1597 57.3814 33.3568 172.0614 119 H 5.4892 9.5635 119.7638 54.5717 32.9067 172.5760 120 V 4.8680 8.6583 123.7163 60.5125 35.7225 173.2102 121 N 5.3663 8.8946 117.7854 51.5978 41.0886 174.4203 122 L 4.8301 8.8569 124.3393 53.9168 44.5160 175.1823 123 Y 4.8324 8.9111 118.6896 56.2401 40.9806 175.0067 124 V 5.0216 9.0107 124.1176 60.6571 34.9296 174.1084 125 W 4.5515 9.1951 135.0000 56.8671 31.3227 175.4881 126 Q 4.5696 7.8508 129.6213 53.7713 27.2324 173.0046 127 P 3.9654 0.0000 0.0000 62.2469 32.7150 176.6048 128 Q 4.5452 9.3977 119.8844 53.3836 32.4772 175.0656 129 V 3.4763 8.2185 119.3095 65.1195 31.7654 175.6373 130 G 4.0542 8.9110 115.0370 45.4129 0.0000 173.8775 131 D 4.3167 7.9440 119.5038 54.5292 42.3220 176.3511 132 V 4.1748 8.7812 123.4122 61.8861 32.3081 174.9566 133 L 4.7482 7.5389 128.2657 52.9567 44.8162 174.9473 134 E 5.0221 8.3802 119.2609 55.1060 32.5964 174.4903 135 G 4.3078 9.2201 111.7280 45.1135 0.0000 171.5603 136 Y 4.8982 8.5708 118.9521 57.3230 39.7421 175.1120 137 I 3.9915 8.9814 124.3767 62.3159 37.1926 174.3653 138 F 4.8395 9.6516 132.5429 57.8392 38.8800 175.4893 139 I 4.4099 8.0864 119.6548 59.1219 39.9496 175.0425 140 Q 4.8338 8.6431 125.8132 55.1859 30.3055 175.4493 141 S 4.3853 8.4959 114.0369 56.5951 66.1316 174.1460 142 A 2.0000 6.3785 125.2470 53.2761 18.0647 173.8956 143 S 3.7035 9.5366 122.6249 59.4179 58.5480 166.3112 144 H 4.2758 8.7512 128.7102 55.9756 27.4929 173.5942 145 I 4.2399 7.8989 126.7922 60.3416 38.8292 175.1223 146 G 4.5385 8.3389 110.9181 44.5087 0.0000 172.1082 147 L 5.6420 10.3262 122.3393 52.6978 46.6785 175.6014 148 L 5.2078 8.8939 120.4123 53.0954 44.8590 175.9800 149 I 4.2186 8.8466 126.2150 61.5789 38.4279 176.3072 150 H 4.2011 9.2686 122.5597 56.5945 26.2379 174.0713 151 D 4.4871 8.5791 114.1222 54.8624 39.3653 173.9280 152 A 4.3238 7.9881 115.8477 51.2462 23.2403 176.8579 153 F 4.8810 7.5807 115.1431 55.0313 42.4022 174.3124 154 N 4.8245 9.1833 120.3677 53.8826 39.2294 173.5570 155 A 5.4676 9.4576 126.8904 50.0761 22.4493 174.9866 156 S 4.9911 8.8882 115.6083 56.7266 67.2358 172.8642 157 I 5.2843 8.1759 116.3827 57.9881 39.7614 175.7383 158 K 4.4185 8.5556 125.5121 55.6720 33.1494 177.6642 159 K 3.8116 8.9118 122.0576 60.0406 32.2332 178.3333 160 N 4.1769 8.4292 114.3134 56.8710 38.4143 175.7373 161 N 4.5441 7.9986 112.1375 53.9270 38.3644 175.0102 162 I 3.8448 7.9258 120.9922 59.5442 38.0925 175.6157 163 P 3.7041 0.0000 0.0000 63.8782 31.2670 178.6303 164 V 3.7425 7.6021 115.3954 61.4398 31.3107 171.4771 165 D 5.0490 7.7121 117.6694 52.9338 40.8274 175.6702 166 W 5.0126 8.4029 120.2806 56.6492 30.2746 175.5601 167 T 4.7606 9.5004 115.1096 59.9407 71.0795 173.0982 168 F 4.4868 8.6853 127.3398 56.5056 40.5051 174.6732 169 V 4.1172 7.3084 126.1941 60.2310 33.6152 175.1578 170 H 4.6050 8.4637 120.4073 55.1754 30.1561 174.6514 171 N 4.7351 8.0705 117.4407 52.6845 40.9346 176.5738 172 D 4.2448 8.8249 123.0277 56.3833 39.9678 178.1849 *210 G 4.2755 7.3891 107.4815 41.0187 0.0000 172.8904 211 N 4.0878 7.4215 113.2042 53.5004 37.4373 174.5042 *213 S 4.2442 7.9158 112.9288 58.7346 64.0036 174.4565 214 L 4.6740 8.3553 127.2640 54.1431 41.9089 177.2846 215 G 3.4937 7.9833 107.8080 45.8705 0.0000 173.6182 216 H 5.1022 7.9870 118.6060 54.7726 29.7197 174.1685 217 W 3.8867 7.8433 114.3538 58.7091 25.8691 172.4063 218 V 4.5796 8.3162 122.6685 60.8329 33.0145 174.9179 219 D 4.1783 7.8376 126.0237 52.5554 40.6276 176.2225 220 S 4.2472 8.6255 110.5266 62.2511 61.6071 175.8655 221 N 4.3798 8.4933 119.4121 56.7089 38.7534 176.1589 222 G 3.9829 7.1959 105.2711 46.3352 0.0000 173.4865 223 E 4.6434 8.5657 119.1188 53.1431 31.8524 174.6385 224 P 4.2924 0.0000 0.0000 62.5503 31.9606 175.9510 225 I 3.1528 8.3779 115.3963 61.4281 36.2459 175.6387 226 D 3.5894 6.8105 121.2251 53.0327 43.6993 177.8633 227 G 5.0833 7.5150 117.8152 46.2354 0.0000 171.7136 228 K 5.1149 9.0524 121.7868 54.2545 34.3391 175.4179 229 L 4.9515 9.6931 128.3591 52.9808 44.5471 175.6920 230 R 4.8492 8.6198 123.4787 55.8468 31.4264 175.2042 231 F 4.8468 8.1003 117.7281 56.5659 41.7583 172.4405 232 T 4.7763 8.1126 110.9203 59.8031 71.1460 174.1227 233 V 4.1572 9.1204 126.6078 63.4013 32.1851 176.0214 234 R 4.5897 8.5334 126.3626 55.6595 32.0409 174.9179 235 N 4.2786 7.2857 115.9616 53.5647 42.1540 173.1522 236 V 4.5545 8.3973 124.7875 61.6014 33.7918 175.1859 237 H 4.6229 9.4971 127.5460 55.1664 28.5367 173.8616 238 T 4.0079 7.9778 119.5395 63.1181 69.2600 174.5208 239 T 3.9045 8.7701 115.1913 62.0816 67.9086 170.8919 240 G 4.0661 8.1347 116.2735 45.2027 0.0000 175.3179 241 R 4.5615 7.4275 123.4455 54.1994 32.9716 175.4812 242 V 3.5082 8.3100 117.4510 62.5810 31.8722 177.2635 243 V 3.9993 8.5353 126.9302 62.0718 32.5191 175.3364 244 S 4.9675 8.7118 116.1561 56.7526 65.8421 172.7308 245 V 4.5296 9.4375 127.6759 62.1151 33.3537 174.1642 246 D 5.1088 9.5084 128.4884 52.8995 42.6861 175.1091 247 G 4.6275 8.6870 113.2812 44.6273 0.0000 170.2206 248 T 4.8747 8.7234 113.6272 59.9887 70.6825 173.6632 249 L 4.2334 8.3630 128.1364 55.3422 42.4095 176.9930 250 I 3.6285 7.5938 119.1782 60.9869 39.3582 174.1121 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 22 K 8.31 4.29 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 23 Q 8.15 4.38 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 24 V 8.47 4.17 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 0.80 0.00 0.00 0.89 0.00 0.00 25 T 8.27 3.98 4.20 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 1.18 0.00 0.00 26 N 8.44 4.76 0.00 2.78 2.88 0.00 0.00 7.03 8.02 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 27 P 0.00 4.34 0.00 2.09 2.17 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 28 I 8.33 4.22 1.82 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 1.37 0.79 0.88 0.00 0.00 29 D 8.57 4.51 0.00 2.72 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 30 E 8.64 3.56 0.00 2.11 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 2.25 2.28 0.00 31 K 8.69 4.39 0.00 1.75 1.78 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.39 7.81 32 N 7.89 4.65 0.00 2.91 2.82 0.00 0.00 6.97 7.53 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 33 G 8.09 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 34 T 7.50 4.69 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 1.26 0.00 0.00 35 S 8.75 4.87 0.00 3.74 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 36 N 8.52 4.15 0.00 2.76 2.82 0.00 0.00 7.05 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 37 C 9.03 4.61 0.00 2.29 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 0.00 0.00 0.00 0.00 38 I 7.83 4.95 1.99 0.00 0.00 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 1.58 0.67 1.09 0.00 0.00 39 V 8.56 4.50 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 0.71 0.00 0.00 0.86 0.00 0.00 40 R 8.36 4.41 0.00 1.40 1.63 0.00 2.93 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.00 41 V 8.81 4.28 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 0.74 0.00 0.00 0.90 0.00 0.00 42 P 0.00 5.00 0.00 2.00 2.18 0.00 3.68 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 43 I 8.95 4.77 1.91 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 1.15 0.64 0.96 0.00 0.00 44 A 8.73 5.41 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 45 L 9.24 4.98 0.00 1.71 1.79 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.29 3.99 0.00 1.43 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 0.00 0.00 0.00 47 V 7.88 4.10 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 0.57 0.00 0.00 0.81 0.00 0.00 48 S 8.43 4.61 0.00 4.06 3.84 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 0.00 0.00 0.00 49 L 8.03 4.20 0.00 1.67 1.67 0.93 1.08 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 50 A 8.68 4.48 1.35 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 51 P 0.00 4.31 0.00 2.16 2.21 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 *53 Y 7.90 4.71 0.00 3.06 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 54 L 7.49 4.20 0.00 1.74 1.57 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.65 3.90 0.00 2.10 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 0.00 2.18 2.28 0.00 56 N 7.57 4.91 0.00 2.76 2.72 0.00 0.00 6.85 8.95 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 57 P 0.00 4.28 0.00 2.35 2.37 0.00 3.81 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 2.12 2.09 0.00 58 L 7.83 3.90 0.00 1.67 1.76 0.97 0.78 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 59 Q 8.05 4.18 0.00 2.08 2.12 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 2.40 0.00 60 G 7.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.68 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 0.91 0.00 0.00 1.00 0.00 0.00 *63 K 7.83 4.49 0.00 1.70 1.81 0.00 1.46 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.36 7.81 64 Q 7.97 4.42 0.00 1.75 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.84 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 65 H 8.02 4.74 0.00 2.86 2.37 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.53 4.56 0.00 1.74 0.79 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 67 N 9.75 4.20 0.00 2.69 2.92 0.00 0.00 6.85 7.69 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 68 P 0.00 4.30 0.00 2.17 2.08 0.00 3.79 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 2.09 2.17 0.00 69 L 7.71 4.45 0.00 1.91 1.77 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.74 4.57 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 1.03 0.00 0.00 1.13 0.00 0.00 *72 K 7.64 4.24 0.00 1.96 1.91 0.00 2.17 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.53 7.81 73 Y 8.92 4.33 0.00 3.17 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 74 N 8.23 5.24 0.00 2.78 2.50 0.00 0.00 7.19 6.15 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 75 N 9.02 4.71 0.00 2.88 2.93 0.00 0.00 7.03 7.46 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 76 K 8.20 3.97 0.00 1.89 1.90 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.45 7.81 77 V 7.84 4.06 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 0.70 0.00 0.00 0.84 0.00 0.00 78 G 7.77 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 0.00 0.00 0.00 79 G 6.58 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.51 4.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.38 1.39 7.81 89 I 8.40 4.09 1.92 0.00 0.00 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 1.47 1.05 0.97 0.00 0.00 90 L 8.10 4.10 0.00 1.72 1.81 0.96 1.09 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 91 D 8.58 4.71 0.00 3.02 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 92 A 7.16 4.35 1.34 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 93 D 8.44 4.51 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.28 2.09 0.00 3.94 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 2.05 2.06 0.00 *112 P 0.00 4.15 0.00 2.25 2.17 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 113 F 8.26 3.99 0.00 3.16 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 0.00 114 G 7.04 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.23 0.00 164 V 7.60 3.74 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 0.67 0.00 0.00 0.97 0.00 0.00 165 D 7.71 5.05 0.00 2.95 2.98 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 0.00 166 W 8.40 5.01 0.00 3.25 3.43 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 0.00 167 T 9.50 4.76 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 1.36 0.00 0.00 168 F 8.69 4.49 0.00 1.51 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 0.00 169 V 7.31 4.12 1.87 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 0.35 0.00 0.00 0.80 0.00 0.00 170 H 8.46 4.61 0.00 2.89 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.07 4.74 0.00 2.73 2.58 0.00 0.00 6.96 8.06 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 0.00 172 D 8.82 4.24 0.00 2.68 2.66 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 *210 G 7.39 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 0.00 211 N 7.42 4.09 0.00 2.87 2.90 0.00 0.00 7.16 7.45 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 *213 S 7.92 4.24 0.00 3.92 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 0.00 214 L 8.36 4.67 0.00 1.60 1.63 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 215 G 7.98 3.49 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 0.00 216 H 7.99 5.10 0.00 3.37 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 W 7.84 3.89 0.00 3.91 3.19 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 0.00 218 V 8.32 4.58 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 0.97 0.00 0.00 0.81 0.00 0.00 219 D 7.84 4.18 0.00 2.64 1.94 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 0.00 220 S 8.63 4.25 0.00 4.03 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 0.00 221 N 8.49 4.38 0.00 2.75 2.96 0.00 0.00 7.02 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 0.00 222 G 7.20 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 0.00 223 E 8.57 4.64 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 224 P 0.00 4.29 0.00 2.05 2.09 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 225 I 8.38 3.15 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.53 0.00 0.00 226 D 6.81 3.59 0.00 2.72 2.54 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 0.00 227 G 7.51 5.08 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 0.00 228 K 9.05 5.11 0.00 1.84 1.73 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 0.98 7.81 229 L 9.69 4.95 0.00 1.55 1.67 1.16 0.75 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 0.00 230 R 8.62 4.85 0.00 1.85 1.87 0.00 3.30 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 231 F 8.10 4.85 0.00 3.20 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 0.00 232 T 8.11 4.78 4.20 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 1.17 0.00 0.00 233 V 9.12 4.16 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 1.00 0.00 0.00 0.88 0.00 0.00 234 R 8.53 4.59 0.00 1.88 2.05 0.00 3.40 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 235 N 7.29 4.28 0.00 2.76 2.50 0.00 0.00 6.61 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 0.00 236 V 8.40 4.55 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 0.96 0.00 0.00 0.97 0.00 0.00 237 H 9.50 4.62 0.00 3.22 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 T 7.98 4.01 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 0.68 0.00 0.00 239 T 8.77 3.90 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 1.28 0.00 0.00 240 G 8.13 4.07 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 0.00 0.00 0.00 241 R 7.43 4.56 0.00 1.84 1.96 0.00 3.45 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 242 V 8.31 3.51 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 0.93 0.00 0.00 0.98 0.00 0.00 243 V 8.54 4.00 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 1.06 0.00 0.00 1.13 0.00 0.00 244 S 8.71 4.97 0.00 3.95 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 0.00 245 V 9.44 4.53 2.34 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 1.19 0.00 0.00 1.18 0.00 0.00 246 D 9.51 5.11 0.00 2.84 2.67 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 0.00 247 G 8.69 4.63 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 0.00 0.00 0.00 248 T 8.72 4.87 4.33 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 1.28 0.00 0.00 249 L 8.36 4.23 0.00 1.41 1.34 0.93 0.80 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 0.00 250 I 7.59 3.63 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 1.12 0.41 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.