NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5148 8.1076 122.4614 52.1773 20.5782 175.2512 3 S 4.8399 8.3479 113.5728 56.5657 66.7987 169.3336 4 E 4.6864 9.8354 121.2458 54.9030 33.6961 174.7599 5 K 4.8331 8.6478 125.8664 55.0080 33.9620 175.7791 6 V 4.3365 8.7570 125.6855 60.9801 33.6174 174.1002 7 E 4.6446 8.8784 129.4411 56.1637 30.6195 175.2853 8 M 5.0193 9.0710 126.1326 53.9033 34.7643 174.6751 9 N 5.5577 8.7436 117.8967 51.3286 43.6998 174.0483 10 L 4.3568 8.7004 121.0814 55.0444 43.0337 176.6652 10A V 4.9551 8.0778 114.6051 59.9443 35.5152 174.9287 10B T 4.6258 8.5392 113.2820 59.5672 71.8459 174.5413 10C S 4.3956 8.5868 114.0166 59.7599 62.9230 174.4699 10D Q 4.5190 9.0644 118.7775 55.2839 30.4588 176.5453 10E G 3.7568 6.3153 105.0398 45.2788 0.0000 171.1777 11 V 4.7599 7.9130 114.0375 59.5962 34.1834 175.9910 12 G 4.2343 8.8398 115.6579 45.4997 0.0000 173.3172 13 Q 4.3143 8.6256 118.9905 56.3287 29.9859 176.1434 14 S 4.8622 8.8529 116.1051 57.4789 63.4528 173.5192 15 I 4.3563 8.5570 119.3250 61.1918 38.8360 173.9531 16 G 4.1310 7.5534 108.4181 44.7102 0.0000 172.9834 17 S 5.1308 8.2968 113.6715 57.2593 67.4225 173.3133 18 V 5.0590 8.9174 119.8522 61.2944 34.6525 173.9837 19 T 5.0784 8.5169 117.6772 60.0144 71.4648 173.0155 20 I 5.2125 8.3753 125.7010 59.1178 39.7486 174.7764 21 T 4.9889 7.9573 122.1049 61.6128 72.7390 172.7837 22 E 4.5963 8.8032 125.9581 56.1924 30.3940 176.3177 23 T 4.7277 8.3817 113.3053 59.2759 72.0396 174.6331 24 D 4.4167 8.7215 120.7599 56.6985 40.8997 177.8440 25 K 4.3927 7.9480 117.1795 56.1712 32.7293 175.0469 26 G 3.7983 7.7548 105.9523 43.7658 0.0000 172.8616 27 L 4.5655 8.3067 118.8446 54.5710 42.8859 176.0865 28 E 5.1431 8.9235 124.7402 54.4982 32.2481 174.4472 29 F 4.5426 10.0385 126.5457 56.2992 41.0209 174.6574 30 S 4.9280 8.8184 121.3913 55.6977 62.2712 171.5481 31 P 4.5981 0.0000 0.0000 62.2545 32.7898 175.5736 32 D 5.0760 8.6812 119.2443 53.2814 41.1024 173.7002 33 L 5.2048 8.6129 121.7734 52.7976 45.7884 176.7863 34 K 5.0826 8.2097 119.5614 54.7722 36.4494 175.0895 35 A 3.7830 8.4649 119.5345 53.6239 15.7916 177.0204 36 L 4.7617 7.4775 119.0935 52.5738 44.6400 175.1809 37 P 4.3754 0.0000 0.0000 62.0520 31.6679 174.6855 38 P 4.3482 0.0000 0.0000 63.4169 32.2164 174.8446 39 G 3.6600 8.0094 105.9381 44.1848 0.0000 172.2261 40 E 4.9789 8.3138 118.3036 55.3940 31.2424 175.7955 41 H 5.1235 9.1752 119.8521 53.5491 33.5983 173.2003 42 G 3.9435 9.0961 110.1304 46.8251 0.0000 172.2122 43 F 5.6788 8.5871 126.0423 56.9610 41.6572 173.1828 44 H 4.9902 8.8314 122.2720 54.2186 33.9121 172.5197 45 I 4.6530 8.0559 120.8940 60.6694 38.8457 175.2504 46 H 5.1702 9.5408 124.4496 54.1828 30.7322 176.1259 47 A 4.1895 8.8719 122.1988 54.1993 18.6708 178.2466 48 K 4.4878 8.2564 113.6694 54.0707 34.9266 178.0740 49 G 3.9283 8.2636 113.8073 43.6649 0.0000 173.1715 50 S 4.5754 7.4502 112.1795 57.6691 65.9930 174.0452 50A C 4.8804 8.7282 122.9271 56.8242 41.8069 173.5027 51 Q 4.4691 7.6836 120.1230 54.8581 29.5756 174.1314 52 P 5.1000 0.0000 0.0000 63.1904 32.7645 175.1067 53 A 4.5715 8.5672 120.5282 50.8838 22.8540 176.3027 54 T 5.1936 8.1386 118.5480 61.3011 66.6872 173.9611 54A K 4.2972 8.1128 119.1057 58.1818 35.6166 175.8644 54B D 4.5260 10.0416 127.3143 55.1195 38.5115 177.2607 54C G 4.0441 8.0315 103.2226 44.8810 0.0000 172.3841 54D K 4.3055 6.7139 115.8027 56.1370 38.5464 173.5944 54E A 4.4166 8.2969 122.5412 52.9060 19.2778 177.5243 54F S 4.6500 8.9294 114.8107 55.9992 66.6003 173.1606 54G A 4.3295 8.8625 128.2359 53.0743 19.5212 177.1614 55 A 4.0589 8.7921 123.5627 51.6096 16.6393 178.4440 56 E 4.0922 7.6658 120.3641 60.3205 29.8785 178.9875 57 S 4.1930 8.0792 114.0139 61.0463 63.0719 175.0364 58 A 4.2121 7.9795 122.2524 52.2928 18.7847 178.7338 59 G 4.1549 7.6672 104.3352 44.7264 0.0000 172.5410 60 G 3.9091 8.1082 107.9576 44.8171 0.0000 172.1647 61 H 4.4695 8.2037 116.4268 54.8311 29.2641 175.2635 62 L 3.9000 8.1415 125.9587 56.1144 42.7556 177.7561 63 D 4.9843 8.4484 123.1591 53.6938 42.1795 173.7609 64 P 4.3402 0.0000 0.0000 64.7449 31.9231 177.8910 65 Q 4.2743 8.0321 116.2818 55.1501 29.7964 174.6952 66 N 4.4491 8.2278 114.9942 53.3528 36.4873 174.9520 67 T 3.9032 8.5455 107.8110 62.6145 69.6662 176.6649 67A G 3.9422 8.5177 108.3194 45.5178 0.0000 173.2129 68 K 4.4591 7.6892 118.7392 54.5032 34.8001 174.9639 69 H 4.7144 8.9151 121.8305 54.8970 29.6724 174.6964 70 E 4.8119 7.9758 123.8227 54.1906 31.2781 176.6049 71 G 3.9362 8.1474 104.5913 43.8270 0.0000 171.8991 72 P 4.2704 0.0000 0.0000 65.5827 31.2872 177.9536 63 E 4.6943 8.5284 122.9591 56.0938 30.9795 174.0609 64 G 3.8802 8.0232 107.4339 46.5449 0.0000 175.4910 65 A 4.2543 7.9521 120.2818 51.9501 19.4964 176.4952 66 G 3.6691 8.1578 105.0942 45.3528 0.0000 174.6519 67 H 4.2832 8.8155 112.4110 55.8145 28.8662 176.0649 67A L 4.3222 8.3477 121.3194 55.5178 40.1421 175.9129 68 G 4.0991 7.7292 107.1392 43.4032 0.0000 173.2639 69 D 4.6244 8.8351 124.0305 54.0970 41.7724 176.8964 70 L 4.8019 7.7158 125.4227 52.6906 43.7781 177.6049 71 P 4.3962 0.0000 0.0000 62.0270 29.9437 174.2991 72 A 4.1704 8.2961 119.4953 54.7827 18.2872 178.4536 85 L 4.1774 8.7213 122.7614 53.7040 43.5855 175.4790 86 V 4.5116 8.2565 126.9078 61.5609 32.7697 174.7681 87 V 4.5420 8.8681 129.1404 61.0965 33.5392 175.6272 88 N 5.0612 9.1385 126.1083 51.9508 38.3717 175.5307 89 N 4.4848 8.5252 114.7701 55.4231 38.5474 175.8317 90 D 4.5527 8.4514 117.2689 53.9674 41.6600 176.8671 91 G 3.8723 8.6481 108.5365 46.0666 0.0000 173.2750 92 K 4.8899 8.1971 117.0686 53.9349 35.3237 175.2574 93 A 4.9050 8.7627 124.3479 50.8467 20.5279 176.7359 94 T 5.0435 8.2750 109.5863 60.0991 70.4077 173.3605 95 D 4.6562 7.9453 122.6385 52.9934 41.8957 176.1401 96 A 4.5943 8.4309 125.9842 52.2581 19.3973 176.5497 97 V 4.6367 9.1264 118.8841 61.3193 35.6557 174.2078 98 I 5.1726 8.5474 125.0877 59.6131 40.5611 175.3752 99 A 4.7083 8.9618 128.4827 49.2137 19.2771 175.1600 100 P 4.6193 0.0000 0.0000 65.5872 31.6432 178.6482 101 R 4.1260 7.9035 116.5546 57.6523 30.5734 176.2831 102 L 4.6126 7.7476 119.2716 53.5503 42.4640 177.1201 103 K 4.6288 10.1153 121.7846 56.3744 34.2687 175.9876 104 S 4.7885 7.7465 113.3059 56.7506 65.5240 174.6069 105 L 3.9284 8.8980 126.1867 57.7487 41.6372 179.1429 *108 D 4.6389 7.9599 116.7214 54.3271 42.5919 176.6562 109 E 4.1663 8.1308 117.6371 58.2507 29.5578 177.5313 110 I 4.5680 7.4771 110.7103 59.9479 38.1481 175.4786 111 K 3.9294 8.1171 121.4939 58.2145 32.7637 175.7848 112 D 4.4230 8.6360 123.5824 55.8117 40.1697 172.0412 113 K 4.8364 7.6704 115.6055 54.5216 37.3425 175.7335 114 A 5.1551 8.1422 121.1592 50.2515 21.4445 175.5035 115 L 4.5165 9.2193 125.8455 54.3900 43.7243 175.1521 116 M 5.3162 9.1597 126.0651 53.6934 36.0959 173.9921 117 V 5.0419 8.8380 124.5706 61.6186 34.3456 174.2505 118 H 5.2992 9.2308 125.5446 54.3750 30.1861 175.7929 119 V 3.7178 9.0910 121.6607 64.7740 32.1137 176.8983 120 G 3.8759 8.6879 109.1390 44.9460 0.0000 173.0844 121 G 4.1363 8.1892 109.7552 45.3175 0.0000 172.7437 122 D 4.7207 8.4083 122.5233 53.9671 42.0136 175.2370 123 N 4.7275 8.8360 124.1881 52.3129 37.5779 175.2750 124 M 3.1290 8.8827 116.9799 56.2290 30.2516 176.2928 125 S 4.8763 7.5232 107.4391 57.6044 65.8131 174.0956 *130 D 4.8071 8.4344 122.0081 53.6737 42.3660 175.5556 131 Q 4.6951 7.9983 118.7392 53.4718 31.1183 173.9234 132 P 4.5558 0.0000 0.0000 63.1954 32.2916 175.8435 133 K 4.6406 7.5367 118.2503 53.6042 34.7825 174.2014 134 P 4.4242 0.0000 0.0000 63.8529 31.5784 176.1605 135 L 3.4604 10.1080 119.3923 55.7439 39.8763 176.4810 136 G 4.4617 8.2102 104.6193 45.4696 0.0000 175.4768 137 G 4.0250 8.3437 106.4549 45.8746 0.0000 175.4933 138 G 3.8442 7.6864 111.1281 47.1875 0.0000 174.9868 139 G 3.8858 8.0157 108.0715 44.9620 0.0000 172.7475 140 E 4.2647 8.5251 118.8254 56.4741 31.2307 176.7608 141 R 4.3333 8.5102 120.6543 56.4539 30.5531 175.2716 142 Y 4.4146 9.4924 125.2512 58.6326 41.0387 175.1171 143 A 5.1953 7.7869 118.3871 50.8588 23.3693 175.3891 144 C 5.3181 9.3234 118.3826 55.7861 42.8893 173.0993 145 G 4.6128 9.3719 111.1558 44.8560 0.0000 171.3233 146 V 4.8143 8.2818 121.6044 60.9736 33.5607 175.2578 147 I 4.1474 8.8961 129.5876 60.0427 37.9799 176.4651 148 K 4.1408 8.5806 125.9166 56.6786 31.8987 177.2100 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 2 A 8.11 4.51 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 3 S 8.35 4.84 0.00 3.88 3.74 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 4 E 9.84 4.69 0.00 2.03 1.72 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 2.19 2.33 0.00 5 K 8.65 4.83 0.00 1.67 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.41 7.81 6 V 8.76 4.34 2.15 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 1.11 0.00 0.00 0.97 0.00 0.00 7 E 8.88 4.64 0.00 2.04 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 2.29 2.54 0.00 8 M 9.07 5.02 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.86 0.00 9 N 8.74 5.56 0.00 2.60 2.73 0.00 0.00 7.08 6.87 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 10 L 8.70 4.36 0.00 1.53 1.41 0.89 0.87 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 10A V 8.08 4.96 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 0.67 0.00 0.00 0.89 0.00 0.00 10B T 8.54 4.63 4.18 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 1.10 0.00 0.00 10C S 8.59 4.40 0.00 3.99 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 10D Q 9.06 4.52 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 10E G 6.32 3.76 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 0.00 0.00 0.00 11 V 7.91 4.76 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 0.74 0.00 0.00 0.92 0.00 0.00 12 G 8.84 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 0.00 0.00 0.00 0.00 13 Q 8.63 4.31 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.06 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 14 S 8.85 4.86 0.00 3.91 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 15 I 8.56 4.36 2.11 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 1.19 0.63 0.94 0.00 0.00 16 G 7.55 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.30 5.13 0.00 3.97 3.95 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 0.00 0.00 0.00 18 V 8.92 5.06 2.25 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 1.36 0.00 0.00 1.11 0.00 0.00 19 T 8.52 5.08 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 20 I 8.38 5.21 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.24 0.16 0.00 0.00 21 T 7.96 4.99 4.19 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 1.18 0.00 0.00 22 E 8.80 4.60 0.00 1.84 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 0.00 2.31 2.21 0.00 23 T 8.38 4.73 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 1.25 0.00 0.00 24 D 8.72 4.42 0.00 2.69 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 25 K 7.95 4.39 0.00 1.81 1.79 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.50 7.81 26 G 7.75 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 27 L 8.31 4.57 0.00 1.75 1.62 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.92 5.14 0.00 2.06 1.76 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 2.26 2.32 0.00 29 F 10.04 4.54 0.00 3.18 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 30 S 8.82 4.93 0.00 4.11 3.88 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 31 P 0.00 4.60 0.00 2.35 2.12 0.00 3.83 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.88 0.00 32 D 8.68 5.08 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 33 L 8.61 5.20 0.00 1.59 1.50 0.87 1.02 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 34 K 8.21 5.08 0.00 1.72 1.74 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.38 7.81 35 A 8.46 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.48 4.76 0.00 1.85 1.40 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.38 0.00 2.05 1.97 0.00 2.88 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.66 0.00 38 P 0.00 4.35 0.00 2.04 2.20 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 2.01 2.07 0.00 39 G 8.01 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 40 E 8.31 4.98 0.00 1.79 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 41 H 9.18 5.12 0.00 2.98 3.21 0.00 5.82 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 42 G 9.10 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 43 F 8.59 5.68 0.00 2.93 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 44 H 8.83 4.99 0.00 3.05 2.81 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.06 4.65 1.81 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 1.24 0.42 0.96 0.00 0.00 46 H 9.54 5.17 0.00 3.06 3.47 0.00 5.64 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 47 A 8.87 4.19 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 48 K 8.26 4.49 0.00 1.70 1.70 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.49 7.81 49 G 8.26 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 50 S 7.45 4.58 0.00 3.79 3.69 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 50A C 8.73 4.88 0.00 2.99 3.02 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 51 Q 7.68 4.47 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 52 P 0.00 5.10 0.00 2.06 2.09 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 53 A 8.57 4.57 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 54 T 8.14 5.19 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 1.17 0.00 0.00 54A K 8.11 4.30 0.00 1.68 1.69 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.43 7.81 54B D 10.04 4.53 0.00 2.78 2.93 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 54C G 8.03 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 54D K 6.71 4.31 0.00 1.87 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.22 1.13 7.81 54E A 8.30 4.42 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 54F S 8.93 4.65 0.00 3.87 3.65 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 0.00 0.00 0.00 0.00 54G A 8.86 4.33 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 55 A 8.79 4.06 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 56 E 7.67 4.09 0.00 2.26 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 0.00 2.31 2.33 0.00 57 S 8.08 4.19 0.00 4.13 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 58 A 7.98 4.21 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.11 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 0.00 0.00 0.00 0.00 61 H 8.20 4.47 0.00 2.63 3.00 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.14 3.90 0.00 1.56 1.64 0.92 1.21 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 D 8.45 4.98 0.00 2.89 2.49 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 64 P 0.00 4.34 0.00 2.22 2.17 0.00 3.81 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 1.99 2.00 0.00 65 Q 8.03 4.27 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 66 N 8.23 4.45 0.00 2.82 2.83 0.00 0.00 6.99 7.14 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 67 T 8.55 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 1.26 0.00 0.00 67A G 8.52 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 68 K 7.69 4.46 0.00 1.74 1.61 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.41 7.81 69 H 8.92 4.71 0.00 3.24 3.39 0.00 5.72 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.98 4.81 0.00 1.87 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 2.14 2.14 0.00 71 G 8.15 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 72 P 0.00 4.27 0.00 2.23 2.30 0.00 3.72 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 2.07 1.84 0.00 63 E 8.53 4.69 0.00 2.23 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 2.28 2.30 0.00 64 G 8.02 3.88 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 0.00 0.00 0.00 65 A 7.95 4.25 1.43 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 66 G 8.16 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 67 H 8.82 4.28 0.00 3.44 3.16 0.00 7.94 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67A L 8.35 4.32 0.00 1.58 1.67 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.73 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 0.00 0.00 0.00 0.00 69 D 8.84 4.62 0.00 2.67 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 70 L 7.72 4.80 0.00 1.43 1.51 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.40 0.00 2.11 2.16 0.00 2.20 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 1.83 1.86 0.00 72 A 8.30 4.17 1.49 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 85 L 8.72 4.18 0.00 0.99 1.29 0.25 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.26 4.51 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 0.78 0.00 0.00 0.90 0.00 0.00 87 V 8.87 4.54 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 1.04 0.00 0.00 0.86 0.00 0.00 88 N 9.14 5.06 0.00 2.92 2.94 0.00 0.00 6.61 6.96 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 89 N 8.53 4.48 0.00 2.72 2.91 0.00 0.00 6.84 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 90 D 8.45 4.55 0.00 2.82 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 91 G 8.65 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.20 4.89 0.00 1.74 1.75 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.32 7.81 93 A 8.76 4.90 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.28 5.04 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 95 D 7.95 4.66 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 96 A 8.43 4.59 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 97 V 9.13 4.64 2.25 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 1.11 0.00 0.00 0.98 0.00 0.00 98 I 8.55 5.17 1.93 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 1.35 1.11 0.97 0.00 0.00 99 A 8.96 4.71 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 0.00 100 P 0.00 4.62 0.00 2.18 2.22 0.00 3.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 101 R 7.90 4.13 0.00 1.83 2.03 0.00 3.19 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 102 L 7.75 4.61 0.00 1.96 1.66 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 103 K 10.12 4.63 0.00 1.68 1.87 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.33 7.81 104 S 7.75 4.79 0.00 3.82 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 0.00 105 L 8.90 3.93 0.00 1.73 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *108 D 7.96 4.64 0.00 2.69 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 0.00 109 E 8.13 4.17 0.00 2.16 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 2.35 2.32 0.00 110 I 7.48 4.57 1.92 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 1.32 0.69 0.97 0.00 0.00 111 K 8.12 3.93 0.00 1.74 1.76 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.60 7.81 112 D 8.64 4.42 0.00 2.78 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 0.00 113 K 7.67 4.84 0.00 1.79 1.86 0.00 1.81 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.72 1.36 7.81 114 A 8.14 5.16 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 0.00 115 L 9.22 4.52 0.00 1.75 1.63 1.17 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 116 M 9.16 5.32 0.00 2.21 1.76 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 117 V 8.84 5.04 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 0.72 0.00 0.00 1.05 0.00 0.00 118 H 9.23 5.30 0.00 3.12 3.52 0.00 5.71 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 0.00 119 V 9.09 3.72 2.25 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 0.71 0.00 0.00 0.99 0.00 0.00 120 G 8.69 3.88 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 0.00 0.00 0.00 121 G 8.19 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 0.00 122 D 8.41 4.72 0.00 2.68 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 0.00 123 N 8.84 4.73 0.00 2.87 3.02 0.00 0.00 6.59 8.86 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 0.00 124 M 8.88 3.13 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 125 S 7.52 4.88 0.00 3.80 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 *130 D 8.43 4.81 0.00 2.74 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 0.00 131 Q 8.00 4.70 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 132 P 0.00 4.56 0.00 2.17 2.16 0.00 3.72 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 1.95 1.98 0.00 133 K 7.54 4.64 0.00 1.73 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81 134 P 0.00 4.42 0.00 2.14 1.95 0.00 3.74 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 2.10 0.00 135 L 10.11 3.46 0.00 1.66 1.49 0.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.21 4.46 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 0.00 0.00 0.00 137 G 8.34 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 0.00 0.00 0.00 138 G 7.69 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 0.00 139 G 8.02 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 0.00 140 E 8.53 4.26 0.00 2.10 2.15 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 0.00 2.46 2.46 0.00 141 R 8.51 4.33 0.00 1.85 1.86 0.00 3.37 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 142 Y 9.49 4.41 0.00 2.95 2.96 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 0.00 143 A 7.79 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 0.00 144 C 9.32 5.32 0.00 2.94 2.87 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 0.00 0.00 0.00 0.00 145 G 9.37 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 4.81 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 0.90 0.00 0.00 0.92 0.00 0.00 147 I 8.90 4.15 2.04 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 1.28 0.63 0.96 0.00 0.00 148 K 8.58 4.14 0.00 1.89 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.