NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4881 8.3344 115.4129 58.0417 63.6487 173.4112 2 K 4.4332 7.6307 120.0652 56.1755 33.4695 173.5081 3 Q 4.5187 7.5900 114.5755 53.5961 33.4273 171.8626 4 P 4.6483 0.0000 0.0000 65.1177 29.8789 173.7525 5 D 4.5447 8.4080 130.5446 54.8619 39.1147 177.8691 6 K 4.3602 7.7358 118.3832 57.2827 30.6438 178.5349 7 Q 3.9987 7.8129 120.0087 58.5343 28.6526 177.6498 8 R 4.1752 7.7635 116.8815 57.7129 30.1584 178.3128 9 K 4.0192 7.9311 118.2165 56.9863 32.3941 177.7037 10 S 4.8195 7.3727 110.9419 57.8425 63.5876 173.7681 11 Q 4.7813 8.0764 118.5434 56.7925 30.1233 176.4614 12 R 4.5238 7.7907 111.0745 56.9926 31.4876 177.3039 13 R 4.0456 7.5713 116.7056 58.6588 30.6877 177.0004 14 A 4.3635 7.0110 119.5553 50.7269 20.1217 174.3112 15 P 4.2150 0.0000 0.0000 63.4612 31.7895 177.0340 16 L 4.1180 8.8695 123.6579 58.2656 42.0342 179.1337 17 H 3.7513 8.6558 115.3314 59.0298 28.5331 176.9960 18 E 4.0307 8.6368 120.7517 59.8975 28.9345 179.7925 19 R 3.9772 9.1136 119.0137 58.9326 30.0501 178.1336 20 H 4.1626 8.4327 118.2231 59.8223 29.4913 177.2229 21 K 4.0973 8.0423 119.0693 59.9857 32.4918 177.9842 22 Q 4.1707 9.1441 120.1553 58.1498 28.7937 177.9096 23 V 3.6962 7.8619 117.8574 64.2230 31.7882 176.2314 24 R 4.0188 7.6320 117.5384 56.7636 30.7816 177.0650 25 A 4.4864 7.3144 118.9374 53.2573 24.4390 175.6743 26 T 4.7035 7.6265 109.1475 60.1175 69.8653 173.7610 27 L 4.7440 8.2833 119.8185 55.8410 42.3640 173.0547 28 S 4.7863 8.2816 110.6155 57.5873 62.0909 173.4983 29 A 4.3608 8.3992 121.4724 54.0510 20.0824 180.7170 30 D 4.4017 7.4044 106.2313 54.2393 42.1793 181.6017 31 L 4.3673 7.8421 112.7036 55.7507 43.8570 179.0485 32 R 3.8280 7.9379 111.0686 56.8977 31.0347 180.9767 33 E 3.3217 8.7135 111.1521 58.5227 32.1982 177.9959 34 E 3.7547 7.0001 121.3839 56.4734 30.8319 177.3695 35 Y 5.1134 8.6417 116.4202 56.0218 39.2889 175.7136 36 G 4.9261 8.8758 119.6855 46.5667 0.0000 171.8966 *40 V 3.5553 7.4754 119.0572 63.9494 32.1789 172.7627 41 R 3.8116 8.6824 128.3695 56.6677 26.8105 175.3256 42 V 4.0742 7.6898 126.5625 62.5836 33.4390 173.8766 43 N 4.9501 8.8144 110.1840 53.4470 45.7800 174.8576 44 A 3.9125 8.5975 122.9645 51.8640 15.3854 179.5859 45 G 3.8962 8.5175 106.9280 44.1225 0.0000 173.6336 46 D 6.3000 7.7437 120.6667 53.2375 43.8484 173.8669 47 T 4.8002 12.0000 111.7319 60.3731 70.5888 174.0809 48 V 4.1335 7.4162 124.4023 63.1877 39.8187 172.5957 49 E 5.2164 9.2126 111.9345 56.1565 32.7498 175.9267 50 V 3.5726 7.0522 123.2000 60.6697 35.6745 176.4274 51 L 4.4350 8.1727 120.5258 56.4033 41.3192 173.8069 52 R 4.3264 8.1901 116.2060 56.8296 33.7306 170.4777 53 G 3.7127 7.7418 116.5120 47.1397 0.0000 176.9018 54 D 3.8702 7.9243 123.0529 56.7320 41.9109 177.2254 55 F 4.3222 8.0678 115.9579 59.0655 39.2184 175.3382 56 A 4.0048 12.0000 122.9786 51.9431 19.5895 177.3638 57 G 3.9873 8.5832 107.2392 46.5409 0.0000 171.3833 58 E 4.9881 7.9072 120.1086 52.7814 33.7500 173.5384 59 E 4.8273 8.0391 119.1267 54.4621 31.7612 175.8648 60 G 4.0999 7.9603 107.4213 46.6481 0.0000 171.6329 61 E 5.1909 8.0932 117.5164 54.1541 34.7749 174.9348 62 V 3.7151 9.3453 123.1724 63.1417 31.2667 175.6285 63 I 4.1915 8.5508 129.4142 63.2460 37.8025 176.5898 64 N 4.7576 7.7770 120.0298 51.5695 42.5879 174.1973 65 V 3.8827 8.6497 124.3501 63.6260 30.2745 174.9580 66 D 4.5818 9.0328 123.7620 55.4364 41.4053 181.3056 67 L 3.3643 7.6099 119.3073 58.0250 42.0802 177.7072 68 D 3.8400 7.0597 109.3855 57.0636 42.2901 177.1997 69 K 3.8184 7.4539 124.4857 58.2346 32.8452 177.8191 70 A 3.9847 10.6000 121.8947 51.2790 17.9491 177.3130 71 V 4.3575 6.9137 114.6159 62.9871 35.3053 170.4138 72 I 5.8834 7.9983 119.7532 59.3753 41.7675 174.0326 73 H 5.0843 8.3899 117.7427 54.6340 32.6260 173.4928 74 V 5.1964 8.0698 120.4466 61.0563 30.6996 177.9709 75 E 3.1258 8.0785 117.6839 56.1706 33.8221 179.0016 76 D 3.6924 7.9374 115.0669 56.4285 41.5519 177.5624 77 V 2.7429 8.5443 116.0083 62.6888 32.4611 174.7223 78 T 4.2837 6.7660 116.5044 63.8688 72.4479 171.3019 79 L 4.4355 9.1330 121.0875 55.5051 46.3724 174.1498 80 E 4.9224 8.7234 121.4561 54.0942 31.3473 178.8022 81 K 4.4526 8.6450 125.0465 56.7307 31.9364 177.7457 82 T 4.5321 8.3654 109.5476 64.3842 71.1109 174.8841 83 D 4.5324 8.4058 120.3000 55.9555 42.5346 175.7480 84 G 3.8804 9.6598 108.8013 44.8663 0.0000 174.9674 85 E 3.3705 8.0668 120.0633 53.7142 32.3087 175.0023 86 E 4.7580 8.2305 123.7240 55.8791 31.2177 175.3799 87 V 4.3289 7.7677 117.1637 61.8763 35.7955 169.3252 88 P 4.6177 0.0000 0.0000 62.7882 31.9145 176.5189 89 R 4.4572 7.8342 123.3758 54.5239 31.5028 174.2328 90 P 4.5230 0.0000 0.0000 63.0335 32.6599 176.4765 91 L 4.3448 8.5447 123.5418 52.9552 42.4935 174.5347 92 D 4.3977 9.2196 124.5982 55.5046 39.0456 178.4457 93 T 3.6516 8.1849 111.9451 64.1245 73.3366 175.4158 94 S 3.4164 9.5109 107.2809 56.9466 62.5385 176.5005 95 N 4.6010 9.3362 120.1636 53.7263 37.9994 174.0898 96 V 4.5050 8.0392 121.9734 60.9895 34.9072 174.3296 97 R 4.7843 8.6344 125.4632 54.3954 34.1779 174.4935 98 V 5.2910 8.0767 122.1880 61.1669 34.6243 174.8182 99 T 4.3246 8.5689 121.9641 64.4163 71.5831 174.2520 100 D 5.0167 8.0471 121.9335 53.2738 38.9539 175.9826 101 L 5.1035 8.1156 123.5238 55.0108 39.7661 174.3063 102 D 4.3513 7.2926 119.5058 53.6330 39.2514 177.7155 103 L 4.5015 8.1720 121.5614 55.6691 45.8877 176.3361 104 E 3.9510 8.3554 120.3539 59.2401 29.4583 176.7790 105 D 4.5932 8.2707 118.7198 54.0037 40.3015 177.2251 106 E 3.8572 8.4493 125.4399 59.3126 29.8892 180.2492 107 K 4.1102 7.8793 116.7004 58.6427 32.6068 178.3944 108 R 4.1812 10.6400 118.4999 58.6777 30.1695 177.7506 109 E 4.1409 8.1346 115.5141 57.0278 29.9787 176.1109 110 A 4.6594 7.4561 120.3386 52.4634 19.2864 177.1740 111 R 4.4715 7.9255 117.1418 58.1819 33.3206 175.7905 112 L 5.1166 7.2856 113.1584 55.7844 42.5194 175.8759 113 E 5.1096 7.8254 122.7020 57.4777 29.4036 174.3540 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 S 8.33 4.49 0.00 3.99 3.99 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 0.00 0.00 0.00 2 K 7.63 4.43 0.00 1.76 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.47 7.81 3 Q 7.59 4.52 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 4 P 0.00 4.65 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 5 D 8.41 4.54 0.00 2.87 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 6 K 7.74 4.36 0.00 1.83 1.81 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.58 7.81 7 Q 7.81 4.00 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 R 7.76 4.18 0.00 1.89 1.97 0.00 3.23 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 9 K 7.93 4.02 0.00 1.87 1.84 0.00 1.49 0.00 0.00 2.19 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.54 7.81 10 S 7.37 4.82 0.00 3.75 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 11 Q 8.08 4.78 0.00 1.97 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 12 R 7.79 4.52 0.00 1.93 2.01 0.00 3.09 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 13 R 7.57 4.05 0.00 1.95 2.03 0.00 3.16 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 14 A 7.01 4.36 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.22 0.00 2.20 2.03 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 16 L 8.87 4.12 0.00 1.80 1.74 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.66 3.75 0.00 3.22 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.64 4.03 0.00 2.40 2.05 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 2.35 2.46 0.00 19 R 9.11 3.98 0.00 1.99 1.98 0.00 3.16 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 20 H 8.43 4.16 0.00 3.07 3.69 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.04 4.10 0.00 1.89 1.83 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.23 7.81 22 Q 9.14 4.17 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 23 V 7.86 3.70 2.23 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 0.79 0.00 0.00 0.96 0.00 0.00 24 R 7.63 4.02 0.00 1.92 1.86 0.00 3.51 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 25 A 7.31 4.49 1.31 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 26 T 7.63 4.70 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 1.23 0.00 0.00 27 L 8.28 4.74 0.00 0.97 1.07 0.93 0.54 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 28 S 8.28 4.79 0.00 4.00 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 29 A 8.40 4.36 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 30 D 7.40 4.40 0.00 2.76 1.78 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 31 L 7.84 4.37 0.00 1.70 1.72 1.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.94 3.83 0.00 1.86 1.13 0.00 3.39 0.00 0.00 3.36 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 33 E 8.71 3.32 0.00 2.15 2.36 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 2.19 2.21 0.00 34 E 7.00 3.75 0.00 1.16 1.46 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 1.84 2.10 0.00 35 Y 8.64 5.11 0.00 3.26 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 36 G 8.88 4.93 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 *40 V 7.48 3.56 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 0.77 0.00 0.00 0.93 0.00 0.00 41 R 8.68 3.81 0.00 1.59 1.41 0.00 3.20 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.00 42 V 7.69 4.07 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 0.86 0.00 0.00 0.97 0.00 0.00 43 N 8.81 4.95 0.00 2.72 2.78 0.00 0.00 6.97 7.35 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 44 A 8.60 3.91 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 45 G 8.52 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 0.00 0.00 0.00 46 D 7.74 6.30 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 47 T 12.00 4.80 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 48 V 7.42 4.13 1.47 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 0.58 0.00 0.00 0.81 0.00 0.00 49 E 9.21 5.22 0.00 2.00 1.66 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 1.56 1.82 0.00 50 V 7.05 3.57 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 1.00 0.00 0.00 0.95 0.00 0.00 51 L 8.17 4.44 0.00 1.74 1.66 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.19 4.33 0.00 1.87 1.84 0.00 3.79 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 53 G 7.74 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 0.00 0.00 0.00 54 D 7.92 3.87 0.00 2.26 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 55 F 8.07 4.32 0.00 3.13 3.36 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 56 A 12.00 4.00 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 57 G 8.58 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.91 4.99 0.00 2.29 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 2.47 2.28 0.00 59 E 8.04 4.83 0.00 2.08 1.89 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 2.17 2.26 0.00 60 G 7.96 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 0.00 0.00 0.00 0.00 61 E 8.09 5.19 0.00 2.05 1.78 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 2.28 2.19 0.00 62 V 9.35 3.72 2.19 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 0.75 0.00 0.00 0.91 0.00 0.00 63 I 8.55 4.19 1.93 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 1.78 0.88 0.96 0.00 0.00 64 N 7.78 4.76 0.00 2.72 2.63 0.00 0.00 6.68 7.68 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 65 V 8.65 3.88 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 0.78 0.00 0.00 0.92 0.00 0.00 66 D 9.03 4.58 0.00 3.31 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 67 L 7.61 3.36 0.00 1.74 1.84 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.06 3.84 0.00 2.68 2.44 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 0.00 0.00 0.00 0.00 69 K 7.45 3.82 0.00 1.80 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.39 7.81 70 A 10.60 3.98 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 71 V 6.91 4.36 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 -0.07 0.00 0.00 1.00 0.00 0.00 72 I 8.00 5.88 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 1.44 1.01 1.09 0.00 0.00 73 H 8.39 5.08 0.00 2.87 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.07 5.20 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 0.73 0.00 0.00 0.90 0.00 0.00 75 E 8.08 3.13 0.00 2.14 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 2.22 2.26 0.00 76 D 7.94 3.69 0.00 2.66 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 77 V 8.54 2.74 1.82 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 0.48 0.00 0.00 0.83 0.00 0.00 78 T 6.77 4.28 4.53 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 0.00 0.00 0.00 1.29 0.00 0.00 79 L 9.13 4.44 0.00 1.88 1.55 0.98 1.12 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 80 E 8.72 4.92 0.00 1.90 2.27 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 2.24 2.30 0.00 81 K 8.65 4.45 0.00 1.71 1.61 0.00 2.03 0.00 0.00 1.53 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 82 T 8.37 4.53 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 83 D 8.41 4.53 0.00 2.65 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 84 G 9.66 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 85 E 8.07 3.37 0.00 2.07 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 0.00 2.35 2.37 0.00 86 E 8.23 4.76 0.00 2.00 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 2.47 2.29 0.00 87 V 7.77 4.33 2.19 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 0.89 0.00 0.00 0.94 0.00 0.00 88 P 0.00 4.62 0.00 2.34 2.08 0.00 3.83 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 2.04 2.02 0.00 89 R 7.83 4.46 0.00 1.73 1.92 0.00 2.52 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.45 0.00 90 P 0.00 4.52 0.00 2.10 2.10 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 91 L 8.54 4.34 0.00 1.60 1.45 0.99 0.51 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 92 D 9.22 4.40 0.00 2.71 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 93 T 8.18 3.65 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 1.20 0.00 0.00 94 S 9.51 3.42 0.00 3.79 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 95 N 9.34 4.60 0.00 2.65 2.82 0.00 0.00 6.48 7.68 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 96 V 8.04 4.50 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 0.82 0.00 0.00 0.96 0.00 0.00 97 R 8.63 4.78 0.00 1.84 1.76 0.00 2.21 0.00 0.00 2.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 98 V 8.08 5.29 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 1.26 0.00 0.00 0.98 0.00 0.00 99 T 8.57 4.32 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 1.21 0.00 0.00 100 D 8.05 5.02 0.00 2.67 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 0.00 101 L 8.12 5.10 0.00 1.59 1.93 1.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.29 4.35 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.50 0.00 1.56 1.70 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.36 3.95 0.00 1.94 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 2.32 2.41 0.00 105 D 8.27 4.59 0.00 2.78 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 0.00 106 E 8.45 3.86 0.00 2.03 1.97 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 2.40 2.39 0.00 107 K 7.88 4.11 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 108 R 10.64 4.18 0.00 1.93 2.11 0.00 3.12 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 109 E 8.13 4.14 0.00 2.04 1.96 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 2.27 2.48 0.00 110 A 7.46 4.66 1.31 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 0.00 111 R 7.93 4.47 0.00 1.69 1.84 0.00 3.33 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 112 L 7.29 5.12 0.00 2.17 1.70 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.83 5.11 0.00 2.07 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 2.35 2.81 0.00 * Residues marked with a * may have inaccurate shift predictions.