NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8995 8.2893 120.2959 55.6174 33.7307 173.9852 2 K 4.7297 8.1230 118.6119 56.0678 36.5349 171.7300 3 M 5.0058 9.0438 120.5536 53.7446 35.7999 175.2833 4 V 4.7170 8.5959 125.9532 61.3241 34.0234 174.2502 5 V 4.6154 8.9715 128.6768 61.3104 33.6504 174.3067 6 V 4.7521 9.0494 128.9401 61.5152 33.4189 174.2103 7 I 4.8295 8.3079 129.1781 59.3634 39.7692 175.3593 8 R 4.4382 8.4190 126.1867 56.0827 30.3723 175.9428 9 N 4.8806 8.8235 122.3683 53.0042 39.3301 174.6467 10 D 4.9176 8.0332 114.6655 53.0304 40.2224 176.5845 11 L 4.5405 7.9265 117.9580 54.3697 41.9912 177.5140 12 G 3.8440 8.2464 105.4183 46.0668 0.0000 174.0637 13 M 3.9737 7.4845 118.6578 55.5848 32.3833 177.5144 14 G 3.9267 8.4753 109.9035 43.5194 0.0000 174.5285 15 K 3.9560 8.6951 119.7608 59.7714 32.1181 179.7763 16 G 3.6173 8.0329 105.0509 47.6054 0.0000 175.5328 17 K 4.0109 7.9590 121.4985 59.3967 32.3092 178.7399 18 M 4.0245 8.3283 119.3717 58.3170 31.8132 178.7374 19 V 3.5309 7.8193 118.0993 65.9643 31.6647 177.9362 20 A 3.8795 7.8089 119.8990 55.2902 18.3506 179.7045 21 Q 3.9048 8.5658 117.0366 59.0681 28.8491 179.0217 22 G 3.8387 8.7658 107.2356 47.8815 0.0000 175.7943 23 G 3.6645 8.2420 108.0736 48.0115 0.0000 175.5540 24 H 4.3401 8.0760 118.4598 58.5872 28.6775 177.7943 25 A 4.0751 8.0423 122.4706 55.0342 18.0972 179.8383 26 I 3.6788 7.8921 118.3185 64.6001 37.2017 178.3963 27 I 3.8604 7.6474 120.2461 64.7966 37.0343 178.3178 28 E 4.0038 8.3917 118.7980 59.4416 29.2120 179.4170 29 A 4.0092 8.3224 120.9521 54.8798 18.4480 179.3355 30 F 4.1451 8.6398 119.6536 61.6848 39.1380 177.4164 31 L 3.7637 8.3592 118.8581 57.7249 41.3673 179.0892 32 D 4.4600 8.0248 117.8992 57.1453 41.1792 178.1353 33 A 3.9780 8.2438 121.7036 54.5788 18.2012 179.1656 34 K 4.0655 7.7309 116.7697 58.3714 32.2116 178.1237 35 R 4.3505 7.0065 117.1087 58.1969 31.3614 178.1938 36 K 4.2596 8.0202 117.1939 57.9876 33.4469 176.5865 37 N 4.5098 8.0389 113.8244 51.3521 41.1347 172.6557 38 P 4.4437 0.0000 0.0000 63.3820 31.3673 178.0058 39 R 3.8858 8.0591 119.6119 59.8447 30.1609 178.2488 40 A 4.1327 7.9220 119.8216 54.9289 18.3886 179.2234 41 V 3.7639 7.8376 117.0070 66.1623 31.6721 177.3502 42 D 4.5566 8.1948 118.4137 57.8638 40.7602 179.0862 43 E 3.9794 8.2151 119.1789 58.7787 29.6006 178.6098 44 W 4.2487 8.5856 128.7819 60.6198 30.8185 177.6301 45 L 3.6219 8.7628 119.3954 57.8504 40.9489 179.8586 46 R 4.0326 8.1744 114.5478 58.7863 29.4472 177.1443 47 E 4.2628 7.8501 116.5941 56.2839 29.4109 176.6579 48 G 3.5693 8.1398 107.8074 45.3924 0.0000 175.0714 49 Q 2.0000 7.2401 115.2388 54.9424 27.5576 174.7113 50 K 4.0426 7.1804 122.7322 57.6989 34.0133 176.2827 51 K 5.3589 8.6096 124.8628 54.7846 35.9339 175.5430 52 V 4.4140 9.0072 124.9985 60.9922 34.5827 174.2601 53 V 4.8255 8.4137 127.1959 61.6705 33.6627 174.6931 54 V 4.9521 8.4847 121.9610 59.3728 35.2799 174.4152 55 K 5.5622 8.6632 119.4102 54.7928 36.0245 175.6596 56 V 4.5836 8.1870 112.3788 59.5082 36.5853 175.4552 57 N 5.0679 8.8471 117.4267 52.3298 39.5827 175.3749 58 S 4.8391 7.5063 111.6198 57.0286 66.1744 175.9805 59 E 3.8958 8.3566 124.0281 59.4311 29.4539 178.9365 60 K 3.8445 8.0867 119.1026 59.6520 32.1926 178.1008 61 E 3.9477 8.2735 119.3868 59.0726 29.5849 178.4311 62 L 3.9568 8.0032 120.3521 58.2855 42.1951 178.9807 63 I 3.7675 8.0268 119.8955 64.6412 37.1862 178.1320 64 D 4.4732 8.2545 119.5960 57.4276 40.5585 179.0045 65 I 3.7510 7.8874 120.3222 64.4514 37.0777 177.8670 66 Y 4.0116 8.1878 120.2875 60.7743 38.6407 177.6781 67 N 4.2494 8.8084 117.7203 56.4776 38.8271 177.6025 68 K 3.9362 8.0108 119.1879 59.2039 31.9767 179.3875 69 A 3.9215 7.7322 120.8486 55.0343 18.2072 179.7213 70 R 3.6203 7.7432 116.8605 59.4569 29.9501 179.2864 71 S 4.0597 7.8340 112.6766 61.5517 62.9287 175.4841 72 E 4.1346 7.7638 119.3912 56.5091 29.5195 177.3356 73 G 3.9281 8.0771 106.7447 45.6610 0.0000 173.9538 74 L 4.1878 7.1570 119.3484 53.9064 42.4548 175.4534 75 P 4.6309 0.0000 0.0000 63.0743 32.6854 175.2202 76 C 5.4247 9.1989 117.4592 59.4177 33.0950 172.4313 77 S 4.9255 8.3369 111.4838 57.8427 65.8310 173.3951 78 I 4.8563 7.9860 120.2361 59.5808 40.6935 173.9237 79 I 4.4257 9.0253 130.5323 59.7964 39.2795 174.4529 80 R 4.9300 8.5145 126.3900 54.5192 32.3601 174.0561 81 D 4.9120 8.9856 126.0326 52.7235 43.4477 175.9381 82 A 4.7240 8.4742 129.6457 51.0213 21.2300 174.5555 83 G 4.1604 8.1434 105.4424 44.3686 0.0000 172.6266 84 H 4.4084 8.3282 114.6301 56.4503 29.2236 173.6517 *89 P 4.1805 0.0000 0.0000 61.6824 32.1651 176.1531 90 G 4.2730 8.3497 105.9616 46.9848 0.0000 172.6513 91 T 4.4688 8.0179 115.2879 60.9442 71.0668 171.9100 92 L 4.7252 8.6369 126.6413 54.7224 41.7978 176.8748 93 T 4.3809 8.9457 115.1472 63.4294 70.8812 174.4461 94 A 5.1924 7.5860 121.3003 50.8477 23.2554 175.0435 95 V 4.9722 8.7854 117.4616 61.5239 35.8634 173.7558 96 A 5.1830 8.8083 125.7318 50.3222 22.7874 174.9705 97 I 4.6625 9.0543 122.9366 60.7580 40.4209 175.3908 98 G 3.9380 8.9940 113.3380 43.0249 0.0000 171.2169 99 P 4.6938 0.0000 0.0000 62.8812 32.2420 175.2466 100 E 4.7041 8.1314 118.8288 55.3590 34.5168 174.7903 101 K 4.1734 8.9346 120.8959 57.1962 32.8314 178.0073 102 D 4.4103 9.2316 124.9996 57.8859 40.8456 179.1076 103 E 3.9433 8.2737 118.0062 59.7296 29.2840 179.5965 104 K 4.0624 7.9813 116.1425 59.5502 32.4402 178.9079 105 I 3.9812 7.7368 119.5813 64.0467 37.2216 178.0311 106 D 4.4724 8.7683 119.9272 56.9317 40.2920 178.9838 107 K 4.0347 7.4438 117.4100 59.3914 32.0962 179.0026 108 I 4.0297 7.6830 118.7742 63.5585 37.6919 177.3473 109 T 4.5884 7.9120 107.7347 61.1640 69.1438 175.9492 110 G 3.8201 8.4923 112.1266 48.9415 0.0000 174.6876 111 H 4.4709 8.1860 113.8877 57.4671 29.2567 175.8102 112 L 4.1040 7.2345 119.9709 54.6595 42.0960 177.4076 113 K 4.3925 8.4763 121.0655 55.7243 33.8251 176.4644 114 L 4.4902 8.3012 122.1302 54.3718 42.6553 177.1095 115 L 4.1089 8.2994 122.7451 55.4707 41.9916 176.6922 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 M 8.29 4.90 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 2 K 8.12 4.73 0.00 1.91 1.98 0.00 1.30 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.49 7.81 3 M 9.04 5.01 0.00 2.24 1.48 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 4 V 8.60 4.72 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 0.97 0.00 0.00 0.94 0.00 0.00 5 V 8.97 4.62 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 0.89 0.00 0.00 0.98 0.00 0.00 6 V 9.05 4.75 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 0.92 0.00 0.00 0.95 0.00 0.00 7 I 8.31 4.83 1.87 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 1.24 1.37 0.91 0.00 0.00 8 R 8.42 4.44 0.00 1.84 2.03 0.00 3.12 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 9 N 8.82 4.88 0.00 2.72 2.95 0.00 0.00 7.06 7.85 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 10 D 8.03 4.92 0.00 2.82 2.81 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 0.00 0.00 0.00 11 L 7.93 4.54 0.00 1.71 1.69 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.25 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 0.00 0.00 0.00 13 M 7.48 3.97 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 14 G 8.48 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 0.00 0.00 0.00 15 K 8.70 3.96 0.00 1.80 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.54 7.81 16 G 8.03 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 17 K 7.96 4.01 0.00 1.88 1.94 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.58 7.81 18 M 8.33 4.02 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 19 V 7.82 3.53 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 1.09 0.00 0.00 0.97 0.00 0.00 20 A 7.81 3.88 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 21 Q 8.57 3.90 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 22 G 8.77 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 0.00 0.00 0.00 23 G 8.24 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 0.00 0.00 0.00 24 H 8.08 4.34 0.00 3.31 3.34 0.00 5.63 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 25 A 8.04 4.08 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 26 I 7.89 3.68 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.83 1.00 0.00 0.00 27 I 7.65 3.86 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.03 1.01 0.00 0.00 28 E 8.39 4.00 0.00 2.09 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 2.55 2.50 0.00 29 A 8.32 4.01 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 30 F 8.64 4.15 0.00 3.14 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 3.76 0.00 1.85 1.65 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.02 4.46 0.00 2.93 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 33 A 8.24 3.98 1.23 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 0.00 0.00 34 K 7.73 4.07 0.00 1.35 1.71 0.00 1.66 0.00 0.00 1.33 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.30 7.81 35 R 7.01 4.35 0.00 2.00 1.90 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 36 K 8.02 4.26 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.52 7.81 37 N 8.04 4.51 0.00 2.66 2.61 0.00 0.00 6.83 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 38 P 0.00 4.44 0.00 2.29 2.36 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 39 R 8.06 3.89 0.00 1.92 2.26 0.00 3.10 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 40 A 7.92 4.13 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 41 V 7.84 3.76 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 1.24 0.00 0.00 0.96 0.00 0.00 42 D 8.19 4.56 0.00 2.74 2.80 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 43 E 8.22 3.98 0.00 2.16 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 2.45 2.41 0.00 44 W 8.59 4.25 0.00 3.53 3.57 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 45 L 8.76 3.62 0.00 1.94 1.67 1.16 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.17 4.03 0.00 1.90 2.08 0.00 3.06 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.62 0.00 47 E 7.85 4.26 0.00 2.19 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 2.30 2.30 0.00 48 G 8.14 3.57 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 0.00 0.00 0.00 49 Q 7.24 2.00 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 50 K 7.18 4.04 0.00 1.88 2.01 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.54 7.81 51 K 8.61 5.36 0.00 1.69 1.75 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.72 1.83 7.81 52 V 9.01 4.41 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 0.89 0.00 0.00 0.97 0.00 0.00 53 V 8.41 4.83 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 0.95 0.00 0.00 54 V 8.48 4.95 2.22 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 0.76 0.00 0.00 0.98 0.00 0.00 55 K 8.66 5.56 0.00 1.76 1.72 0.00 1.54 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.23 7.81 56 V 8.19 4.58 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 0.86 0.00 0.00 0.94 0.00 0.00 57 N 8.85 5.07 0.00 2.65 2.77 0.00 0.00 6.85 7.84 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 58 S 7.51 4.84 0.00 3.98 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 59 E 8.36 3.90 0.00 2.05 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 2.37 2.36 0.00 60 K 8.09 3.84 0.00 1.86 1.81 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.52 7.81 61 E 8.27 3.95 0.00 2.17 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 2.34 2.33 0.00 62 L 8.00 3.96 0.00 1.82 1.83 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.03 3.77 2.03 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 1.50 0.45 0.96 0.00 0.00 64 D 8.25 4.47 0.00 2.96 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 65 I 7.89 3.75 2.11 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 1.67 1.57 0.95 0.00 0.00 66 Y 8.19 4.01 0.00 3.08 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 67 N 8.81 4.25 0.00 2.84 2.87 0.00 0.00 7.10 7.81 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 68 K 8.01 3.94 0.00 1.83 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.60 7.81 69 A 7.73 3.92 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 70 R 7.74 3.62 0.00 1.82 1.82 0.00 3.18 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.30 0.00 71 S 7.83 4.06 0.00 3.98 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 72 E 7.76 4.13 0.00 2.06 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 2.29 0.00 73 G 8.08 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 0.00 0.00 0.00 74 L 7.16 4.19 0.00 1.60 1.54 0.94 1.43 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 75 P 0.00 4.63 0.00 2.15 1.96 0.00 3.54 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 76 C 9.20 5.42 0.00 3.02 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 77 S 8.34 4.93 0.00 3.93 4.02 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 0.00 0.00 0.00 78 I 7.99 4.86 0.72 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.88 0.25 0.00 0.00 79 I 9.03 4.43 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 0.95 0.00 0.00 80 R 8.51 4.93 0.00 1.74 1.75 0.00 3.16 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 1.47 1.55 0.00 81 D 8.99 4.91 0.00 2.82 2.48 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 82 A 8.47 4.72 1.23 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 0.00 0.00 83 G 8.14 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 84 H 8.33 4.41 0.00 3.17 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 P 0.00 4.18 0.00 2.19 2.09 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 90 G 8.35 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 91 T 8.02 4.47 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 92 L 8.64 4.73 0.00 1.57 1.53 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.95 4.38 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 1.20 0.00 0.00 94 A 7.59 5.19 1.25 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 0.00 0.00 95 V 8.79 4.97 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 0.93 0.00 0.00 1.02 0.00 0.00 96 A 8.81 5.18 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 97 I 9.05 4.66 1.86 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 1.14 0.82 0.87 0.00 0.00 98 G 8.99 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 0.00 0.00 0.00 99 P 0.00 4.69 0.00 1.54 0.49 0.00 3.11 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.24 0.00 100 E 8.13 4.70 0.00 1.78 1.80 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 2.17 2.16 0.00 101 K 8.93 4.17 0.00 1.66 1.75 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.44 7.81 102 D 9.23 4.41 0.00 2.78 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 0.00 103 E 8.27 3.94 0.00 2.05 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 2.41 2.49 0.00 104 K 7.98 4.06 0.00 1.87 1.86 0.00 1.95 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.53 7.81 105 I 7.74 3.98 1.87 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 1.49 1.00 0.90 0.00 0.00 106 D 8.77 4.47 0.00 2.64 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 0.00 107 K 7.44 4.03 0.00 1.77 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.74 7.81 108 I 7.68 4.03 1.87 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 1.66 0.33 0.92 0.00 0.00 109 T 7.91 4.59 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 1.22 0.00 0.00 110 G 8.49 3.82 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 0.00 0.00 0.00 111 H 8.19 4.47 0.00 3.30 3.44 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.23 4.10 0.00 1.58 1.58 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.48 4.39 0.00 1.71 1.71 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.46 7.81 114 L 8.30 4.49 0.00 1.53 1.60 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.30 4.11 0.00 1.60 1.55 0.92 0.71 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 * Residues marked with a * may have inaccurate shift predictions.