NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3362 8.3149 121.7929 56.8195 33.6268 176.2370 4 C 5.4036 8.1915 118.7693 54.4408 41.1607 172.7993 5 S 4.5908 8.6517 114.6630 57.5431 64.3102 173.3683 6 L 3.9639 8.1326 125.1217 57.2085 41.7043 177.7873 7 T 4.1989 6.5397 113.2734 62.9203 68.9072 174.3499 8 G 3.8007 7.4393 113.9960 44.2795 0.0000 170.8683 9 K 5.2069 7.8302 118.5444 54.4573 35.4005 175.7043 10 W 5.5900 9.4393 123.2940 55.6433 33.8196 174.5650 11 T 5.2540 8.9938 118.9062 60.6795 70.0944 172.1232 12 N 5.3850 8.5188 119.3680 50.5297 40.9967 175.1169 13 D 4.7051 8.5449 116.7052 54.7434 39.3489 176.8043 14 L 4.6234 9.5122 118.5053 54.0871 44.2123 175.6868 15 G 4.2397 8.8076 108.3389 47.0344 0.0000 175.0876 16 S 4.3669 7.7933 115.2164 58.8294 64.3112 173.6045 17 N 5.7332 8.5192 119.5210 52.0756 42.3714 173.3061 18 M 5.0176 8.8859 116.0709 54.6611 35.1091 173.6113 19 T 5.1274 8.9127 118.1916 61.9245 71.6579 173.1760 20 I 4.7541 9.0974 126.8484 59.5325 40.4413 175.9900 21 G 4.3055 9.2719 117.0159 45.9486 0.0000 172.2779 22 A 4.1771 8.6191 125.7432 51.8344 19.0175 178.0108 23 V 4.8712 8.0748 122.5716 59.6388 31.2018 175.9616 24 N 4.6876 8.4197 124.2582 52.1792 38.4899 176.0631 25 S 4.0713 8.6903 112.3479 61.7520 62.9440 175.8318 26 R 3.9709 7.8619 114.4309 56.5439 29.1322 176.8528 27 G 4.0413 8.3269 108.6338 45.4135 0.0000 173.6201 28 E 4.5059 7.5978 118.8904 57.2777 30.9790 175.9536 29 F 5.2169 7.8341 113.6726 56.7133 41.5682 172.6833 30 T 4.9921 8.5211 113.6070 60.1920 71.6025 172.4109 31 G 4.2738 7.4671 111.4131 46.7462 0.0000 171.4557 32 T 5.2730 8.3270 109.8069 60.1484 73.0462 172.8335 33 Y 4.9842 8.6557 122.7087 56.6221 42.4317 173.2161 34 I 4.8626 8.3127 121.2843 59.6942 39.4962 175.2843 35 T 4.6852 9.1513 121.8413 61.7430 67.9933 174.0403 36 A 4.3690 10.5603 130.0809 53.0135 19.0602 177.6933 37 V 4.3449 7.3120 112.9486 60.8482 34.3735 173.2258 38 A 4.2694 7.6821 122.4387 52.2740 21.7922 175.5517 39 D 4.4306 8.8356 115.8268 57.1846 41.2092 177.0038 40 N 4.8490 7.6920 118.4890 50.7834 38.3974 172.9599 41 P 4.3668 0.0000 0.0000 63.0884 31.7438 177.9066 42 G 3.6735 7.8396 107.6913 47.4247 0.0000 174.4409 43 N 4.4915 7.7067 115.8656 53.6055 39.5854 174.9878 44 I 2.0000 6.8738 118.1115 61.2251 36.9202 174.5924 45 T 4.7189 7.6784 114.1239 58.8226 71.8613 173.2312 46 L 4.3139 8.5325 121.0919 55.6845 42.1966 177.3406 47 S 5.0387 8.9492 118.1176 55.9342 67.2386 172.0342 48 P 5.0252 0.0000 0.0000 62.8287 33.2136 174.5285 49 L 4.8201 8.4820 121.0684 53.6983 46.1948 174.5296 50 L 4.8080 8.5852 127.1627 53.9249 45.9094 174.9194 51 G 3.9745 8.1085 112.3192 45.1936 0.0000 170.9581 52 I 4.8940 8.3092 119.2333 59.3940 41.0441 174.9129 53 Q 5.0087 8.8663 126.8038 54.2215 32.0007 174.5295 54 H 3.7897 8.8268 122.7712 56.7778 29.2459 175.7064 *57 K 4.4836 9.1365 122.8903 56.5028 34.3505 177.3066 58 R 3.9952 8.1791 115.2322 59.2070 29.5823 177.1288 59 A 4.0211 8.0408 120.2719 51.9193 18.7448 177.6251 60 S 4.3308 8.7612 116.1206 60.6961 63.6142 174.5360 61 Q 4.8678 7.8503 119.5727 51.9582 28.1661 173.6905 62 P 4.5290 0.0000 0.0000 62.7195 33.5943 176.8201 63 T 4.6097 8.4288 117.9631 63.7737 70.2820 173.0607 64 F 5.2589 7.8558 117.2272 57.1512 41.8562 172.7085 65 G 4.4515 8.9895 104.0698 45.7085 0.0000 172.3829 66 F 5.4162 8.4150 115.9575 56.0728 41.9979 172.7641 67 T 4.9603 8.8991 116.3086 61.8024 71.4709 173.4947 68 V 4.0846 9.4021 127.2090 61.0662 33.2551 174.2570 69 N 4.5664 7.9231 128.4429 52.1387 39.1430 174.6945 70 W 4.3339 8.0235 127.9938 56.1336 28.8019 176.9151 71 K 4.1324 8.9644 127.6173 58.9239 32.1721 177.8105 72 F 4.5401 7.7958 113.0184 58.4583 38.6007 175.4410 73 S 4.7037 6.9213 114.7473 56.7302 65.1300 173.4270 74 E 4.5946 8.4939 117.5709 56.5789 29.6489 175.4806 75 S 5.0665 7.6879 114.6056 58.1668 66.2360 173.2757 76 T 4.9220 8.7951 117.1285 62.2981 72.1343 173.2457 77 T 5.6367 8.3492 121.5090 61.0364 71.9837 173.3542 78 V 4.7167 8.2001 117.9576 59.5930 34.8748 174.4601 79 F 5.4412 8.5450 123.6730 55.8724 41.7246 174.7497 80 T 4.7095 9.1812 112.4447 59.6802 72.1835 174.2484 81 G 4.1744 6.0454 108.1136 46.1380 0.0000 171.3148 82 Q 4.4938 7.5011 120.4000 54.3797 32.9543 175.6511 83 C 5.0109 8.6618 124.7280 55.6955 40.0950 172.9085 84 F 4.9979 8.8516 124.8977 56.1539 42.2914 174.8371 85 I 4.6304 8.7160 121.0943 59.6278 37.6582 175.7282 86 D 4.4812 8.9057 128.0460 53.6036 41.8584 177.0438 87 R 3.8589 8.8719 126.4020 59.8877 29.9258 177.0827 88 N 4.2634 8.2310 112.6559 54.7623 38.5902 175.6417 89 G 3.9978 8.5497 107.5598 44.5666 0.0000 173.4657 90 K 4.5075 7.6582 118.3913 55.5771 35.2560 175.9243 91 E 5.0864 9.0303 122.7498 55.2625 30.6533 175.6375 92 V 4.9598 8.6336 124.8156 60.3537 34.2913 174.6729 93 L 5.3003 8.8548 123.0020 53.4005 44.0645 175.4776 94 K 5.0210 9.2052 123.3329 55.0391 34.4508 175.4637 95 T 5.3802 8.9082 114.6901 60.3958 72.8938 172.4891 96 M 5.2703 9.2972 120.9416 53.5208 36.7164 174.4450 97 W 5.6387 8.9050 116.7237 55.1416 32.4823 173.5967 98 L 5.3573 8.9930 120.4568 52.9597 44.5880 175.3170 99 L 5.1397 9.2389 124.9712 52.4989 44.7686 174.8151 100 R 5.0143 9.3382 127.9786 55.0837 31.4816 175.7565 101 S 4.8335 8.6381 122.9890 57.7503 64.3829 173.8879 102 S 4.4999 8.4071 116.6032 57.9706 62.9973 173.6850 103 V 4.5489 8.0785 118.2303 59.5070 35.1380 175.5409 104 N 4.5237 8.6503 118.7632 55.0523 39.2320 175.3443 105 D 4.9706 7.6140 116.1940 51.7827 44.4221 176.1782 106 I 3.7495 8.4099 124.7277 63.8513 38.2503 178.2110 107 G 3.7796 8.1217 108.1297 48.0341 0.0000 173.5714 108 D 4.6297 8.0228 118.7071 54.0635 41.2432 177.4776 109 D 4.3202 8.2236 121.8949 57.1000 41.1367 178.6644 110 W 4.3396 8.3182 114.3053 58.5051 27.9767 176.4095 111 K 3.9724 6.9873 116.8520 56.3748 32.0610 176.2386 112 A 4.6070 7.6867 119.7158 52.1295 20.5441 176.4421 113 T 4.9166 7.8571 113.2890 62.7391 70.9672 173.7208 114 R 4.6643 9.1445 126.8102 55.1878 32.0078 176.2701 115 V 4.6221 7.9846 121.1612 60.1130 34.3881 175.9160 116 G 2.7536 6.6007 107.9209 46.4121 0.0000 170.9018 117 Y 4.6899 6.9458 116.7022 56.9989 40.9616 172.5786 118 N 5.0443 8.9221 116.0101 52.9289 44.4258 174.0079 119 I 5.0734 9.6447 120.2983 60.1605 40.8216 175.2439 120 F 5.3656 9.1244 126.5168 56.8301 41.2222 175.3284 121 T 5.3043 9.2787 117.4759 61.5247 72.6683 173.8593 122 R 3.4023 8.5620 122.4856 56.1926 30.9321 176.5709 123 L 4.2583 8.6478 124.7201 55.1485 41.8169 175.9603 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 K 8.31 4.34 0.00 1.74 1.79 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.49 7.81 4 C 8.19 5.40 0.00 3.22 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 5 S 8.65 4.59 0.00 3.83 3.75 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 6 L 8.13 3.96 0.00 0.95 0.87 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 7 T 6.54 4.20 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 1.21 0.00 0.00 8 G 7.44 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 9 K 7.83 5.21 0.00 1.56 1.63 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.36 7.81 10 W 9.44 5.59 0.00 3.14 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 11 T 8.99 5.25 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 1.30 0.00 0.00 12 N 8.52 5.39 0.00 2.00 1.42 0.00 0.00 7.16 7.44 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 13 D 8.54 4.71 0.00 2.76 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 14 L 9.51 4.62 0.00 1.47 1.73 0.94 1.13 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 15 G 8.81 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 0.00 0.00 0.00 0.00 16 S 7.79 4.37 0.00 3.82 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 17 N 8.52 5.73 0.00 2.67 2.65 0.00 0.00 6.63 7.76 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 18 M 8.89 5.02 0.00 1.70 2.08 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 19 T 8.91 5.13 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 1.20 0.00 0.00 20 I 9.10 4.75 1.94 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.52 0.67 0.00 0.00 21 G 9.27 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 22 A 8.62 4.18 1.26 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 0.00 0.00 23 V 8.07 4.87 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 0.63 0.00 0.00 1.13 0.00 0.00 24 N 8.42 4.69 0.00 2.98 3.05 0.00 0.00 5.92 7.27 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 25 S 8.69 4.07 0.00 4.01 4.05 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 26 R 7.86 3.97 0.00 1.93 2.09 0.00 3.02 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 27 G 8.33 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 28 E 7.60 4.51 0.00 2.03 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 0.00 2.25 2.25 0.00 29 F 7.83 5.22 0.00 3.06 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 30 T 8.52 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 1.22 0.00 0.00 31 G 7.47 4.27 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 0.00 32 T 8.33 5.27 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 1.22 0.00 0.00 33 Y 8.66 4.98 0.00 2.98 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 34 I 8.31 4.86 1.94 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 1.12 0.52 0.99 0.00 0.00 35 T 9.15 4.69 4.96 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 1.41 0.00 0.00 36 A 10.56 4.37 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 37 V 7.31 4.34 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 0.60 0.00 0.00 0.91 0.00 0.00 38 A 7.68 4.27 1.16 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 39 D 8.84 4.43 0.00 2.64 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 40 N 7.69 4.85 0.00 2.72 2.71 0.00 0.00 7.12 8.03 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 41 P 0.00 4.37 0.00 1.97 2.01 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.22 0.00 42 G 7.84 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 0.00 0.00 0.00 43 N 7.71 4.49 0.00 2.66 2.93 0.00 0.00 6.95 6.73 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 44 I 6.87 2.00 1.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.08 0.85 0.00 0.00 45 T 7.68 4.72 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 1.27 0.00 0.00 46 L 8.53 4.31 0.00 1.63 1.75 0.96 0.84 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 47 S 8.95 5.04 0.00 3.74 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 48 P 0.00 5.03 0.00 2.06 2.16 0.00 3.89 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 49 L 8.48 4.82 0.00 1.56 1.52 0.50 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.59 4.81 0.00 1.58 1.35 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.11 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 0.00 0.00 0.00 52 I 8.31 4.89 1.85 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 0.98 1.22 0.89 0.00 0.00 53 Q 8.87 5.01 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 54 H 8.83 3.79 0.00 3.28 3.28 0.00 5.89 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 *57 K 9.14 4.48 0.00 1.81 1.88 0.00 1.84 0.00 0.00 0.85 0.00 0.00 3.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.44 7.81 58 R 8.18 4.00 0.00 1.92 2.09 0.00 3.15 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 59 A 8.04 4.02 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 60 S 8.76 4.33 0.00 4.02 4.03 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 61 Q 7.85 4.87 0.00 1.92 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.05 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 62 P 0.00 4.53 0.00 2.22 2.36 0.00 3.70 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 63 T 8.43 4.61 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 1.14 0.00 0.00 64 F 7.86 5.26 0.00 3.29 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 65 G 8.99 4.45 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 0.00 66 F 8.41 5.42 0.00 3.18 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 67 T 8.90 4.96 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 1.14 0.00 0.00 68 V 9.40 4.08 1.38 0.00 0.00 0.00 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 0.91 0.00 0.00 69 N 7.92 4.57 0.00 2.64 2.60 0.00 0.00 7.30 7.73 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 70 W 8.02 4.33 0.00 3.09 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.96 4.13 0.00 1.85 2.02 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.55 7.81 72 F 7.80 4.54 0.00 3.23 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 73 S 6.92 4.70 0.00 3.88 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 74 E 8.49 4.59 0.00 2.06 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 2.16 2.27 0.00 75 S 7.69 5.07 0.00 3.70 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 76 T 8.80 4.92 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 1.14 0.00 0.00 77 T 8.35 5.64 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 0.49 0.00 0.00 78 V 8.20 4.72 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 0.76 0.00 0.00 0.90 0.00 0.00 79 F 8.55 5.44 0.00 1.95 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 80 T 9.18 4.71 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 1.12 0.00 0.00 81 G 6.05 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 0.00 0.00 0.00 0.00 82 Q 7.50 4.49 0.00 1.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.90 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 83 C 8.66 5.01 0.00 3.06 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 84 F 8.85 5.00 0.00 3.12 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 85 I 8.72 4.63 1.96 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 1.19 0.82 0.97 0.00 0.00 86 D 8.91 4.48 0.00 2.84 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 87 R 8.87 3.86 0.00 1.80 2.00 0.00 3.38 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 88 N 8.23 4.26 0.00 2.95 2.89 0.00 0.00 7.09 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 89 G 8.55 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 90 K 7.66 4.51 0.00 1.94 1.96 0.00 1.27 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.74 7.81 91 E 9.03 5.09 0.00 2.20 2.18 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 2.60 2.21 0.00 92 V 8.63 4.96 2.28 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 0.94 0.00 0.00 1.17 0.00 0.00 93 L 8.85 5.30 0.00 1.84 1.78 -0.18 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.21 5.02 0.00 2.10 1.95 0.00 1.84 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.84 1.71 7.81 95 T 8.91 5.38 4.69 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 1.52 0.00 0.00 96 M 9.30 5.27 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 97 W 8.90 5.64 0.00 2.80 2.43 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 98 L 8.99 5.36 0.00 1.61 1.63 0.93 0.88 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 99 L 9.24 5.14 0.00 1.55 1.62 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.34 5.01 0.00 1.94 1.94 0.00 3.32 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 101 S 8.64 4.83 0.00 3.73 3.71 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 0.00 102 S 8.41 4.50 0.00 3.86 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 0.00 103 V 8.08 4.55 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 0.67 0.00 0.00 0.86 0.00 0.00 104 N 8.65 4.52 0.00 2.69 2.86 0.00 0.00 6.65 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 0.00 105 D 7.61 4.97 0.00 2.62 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 0.00 106 I 8.41 3.75 1.88 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 1.37 1.20 0.93 0.00 0.00 107 G 8.12 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 0.00 108 D 8.02 4.63 0.00 2.87 2.47 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 0.00 0.00 0.00 0.00 109 D 8.22 4.32 0.00 3.03 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 0.00 110 W 8.32 4.34 0.00 3.57 3.22 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 0.00 111 K 6.99 3.97 0.00 1.22 0.74 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.45 0.80 7.81 112 A 7.69 4.61 1.22 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 0.00 113 T 7.86 4.92 4.27 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 1.24 0.00 0.00 114 R 9.14 4.66 0.00 1.93 2.17 0.00 3.18 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 115 V 7.98 4.62 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 0.64 0.00 0.00 0.84 0.00 0.00 116 G 6.60 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 0.00 0.00 0.00 117 Y 6.95 4.69 0.00 3.19 2.86 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 0.00 118 N 8.92 5.04 0.00 3.11 2.76 0.00 0.00 7.20 7.21 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 0.00 119 I 9.64 5.07 1.99 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 1.05 0.00 0.00 120 F 9.12 5.37 0.00 2.89 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 0.00 121 T 9.28 5.30 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 1.25 0.00 0.00 122 R 8.56 3.40 0.00 1.40 1.42 0.00 3.20 0.00 0.00 2.78 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 123 L 8.65 4.26 0.00 1.45 1.40 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.