NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3041 8.4145 122.1404 54.6377 33.5766 175.3992 5 R 4.6330 8.4484 107.6798 56.8512 30.6707 171.5539 6 N 5.1124 7.8877 115.8794 51.2173 40.3917 178.7597 7 V 4.5257 7.3196 117.0171 61.1242 34.0647 174.9536 8 E 4.4175 8.1115 123.2701 58.1683 31.4397 179.5719 9 L 4.6809 7.8366 119.0699 54.2743 41.1199 179.8770 10 L 4.7422 7.6917 115.2620 54.9680 44.8818 180.0354 11 A 4.6694 8.1804 119.3784 53.5589 20.3756 177.1637 12 T 4.5563 8.0478 108.9305 60.8970 68.9950 180.6401 13 L 4.9503 7.6919 123.3230 55.9296 41.7116 181.5576 14 K 4.6896 7.8648 120.7233 55.2581 35.1095 179.8035 15 E 5.1123 8.0498 117.9773 56.6811 30.7667 179.0249 16 N 5.0380 7.9926 115.6000 53.0394 38.1281 181.7062 17 L 4.5781 7.6367 118.2790 55.8768 42.4908 177.9846 18 E 4.8160 8.1607 116.3626 56.6412 31.1013 180.3336 19 R 4.4905 7.4084 116.8951 56.2364 30.6130 175.5246 20 A 4.1596 7.4305 135.0000 51.1971 25.1353 180.6778 21 Q 4.7577 7.7697 120.6684 54.0011 31.2882 176.0841 22 G 3.9547 8.5182 104.4140 48.7107 0.0000 171.8978 23 S 4.4681 9.0810 115.6123 58.6909 58.5233 165.2456 *24 F 4.9796 7.7165 126.0399 55.9932 42.7826 176.0172 *25 F 4.9796 8.8543 123.9725 55.5201 41.8326 173.6171 26 L 4.9167 8.2710 120.5875 55.2120 44.0608 175.5771 27 V 5.1490 8.1514 123.2272 58.8697 35.6499 173.6169 28 N 4.7589 8.4500 125.9079 51.6151 36.6999 172.8037 *29 Y 4.2961 7.9558 132.6117 56.5564 36.6804 175.5317 30 Q 4.8670 7.4974 118.6556 53.4564 29.4723 180.4823 31 G 4.2906 7.2133 110.1706 44.0487 0.0000 171.1709 32 L 4.3758 7.6664 120.6140 53.5934 46.2607 172.1833 33 P 4.4274 0.0000 0.0000 62.6938 29.6680 174.5186 34 A 4.5593 9.3101 119.4172 53.7675 21.9152 178.9835 35 K 4.4249 8.1249 115.7576 55.1430 33.4311 179.7640 36 E 4.4442 7.9818 118.6225 55.7933 28.6055 184.0388 37 T 4.8229 7.2353 117.1572 61.1947 70.9452 175.0051 *38 H 4.8364 8.0987 119.8295 54.2111 31.4351 175.9882 39 A 4.8256 8.1375 121.4700 52.5617 19.1449 177.4907 40 L 4.7429 7.9325 119.1499 56.0282 44.5073 180.7191 41 R 4.7325 7.8128 113.9599 56.7849 31.3779 181.6059 42 Q 4.6713 6.9971 112.8796 54.2589 29.4898 178.2961 43 A 5.0247 7.8290 125.4590 53.9124 21.5709 178.4674 44 L 4.4802 8.1498 120.4986 56.1464 40.6754 181.8216 45 K 4.5343 7.8829 124.1829 54.1068 34.0653 177.4608 46 Q 4.5392 8.8722 122.9046 56.0152 31.1154 174.6431 47 N 5.2246 7.6907 112.8335 49.5819 39.3136 175.2872 48 G 3.9238 7.2421 111.1839 45.3584 0.0000 169.5532 49 A 4.7800 8.3018 125.6551 50.6631 22.6007 178.3723 50 R 4.5355 8.4908 119.8321 56.8263 28.2945 175.2619 51 L 4.9666 8.7592 119.7221 54.5714 42.8212 180.7295 *52 F 4.9494 7.9400 115.8686 57.2704 41.4907 176.2920 53 V 3.7087 8.1469 123.8374 61.0589 30.2192 178.5736 54 A 5.4409 8.8486 135.0000 54.0394 20.4812 180.8924 55 K 4.4127 8.4993 120.7869 59.2796 31.7589 183.9461 56 N 5.0620 8.2136 115.9277 54.3764 40.2338 177.2128 57 T 4.0729 8.1274 116.2140 62.4394 71.8302 171.3898 58 L 4.4347 7.4708 119.0613 53.3977 42.4056 175.4164 59 I 3.8786 8.1583 116.4172 63.3211 35.9733 172.0335 60 R 4.3782 8.8777 121.4346 59.6346 28.1189 174.7038 61 L 4.5412 7.2508 115.6422 53.5422 40.7513 178.5438 62 A 4.5769 7.2948 124.5411 53.9055 22.7415 178.3427 63 L 4.3807 8.3129 117.2978 55.6326 41.5580 183.8164 64 K 4.6765 7.8978 117.0455 55.9532 34.5024 182.6358 65 E 4.4591 8.4362 118.2276 59.1438 30.6523 183.8365 66 L 5.0709 7.5978 118.3983 52.9410 41.8419 179.8730 67 G 4.7454 8.0646 106.6771 47.4572 0.0000 175.3435 68 L 4.5532 7.8842 119.7706 54.5671 46.8725 179.1972 69 P 4.6294 0.0000 0.0000 63.8912 31.3967 181.1592 70 E 5.5762 7.9686 117.3532 56.8393 32.6843 183.6770 71 L 4.5966 7.0570 119.7141 55.3151 42.7319 177.7836 72 D 5.3918 7.2058 121.6030 52.0972 42.2702 177.3301 73 G 3.7932 9.1274 104.2566 47.7297 0.0000 174.4775 74 L 4.4106 7.1905 110.2790 54.0629 43.2604 178.6292 75 Q 4.4146 8.3999 120.9721 54.9997 26.6492 177.5532 76 G 3.9715 8.3872 113.6396 46.3655 0.0000 170.4179 77 P 4.6165 0.0000 0.0000 62.8617 30.9110 179.0841 78 S 4.9538 7.6510 114.1239 58.1421 62.8819 179.5645 79 A 4.5839 7.3832 123.3986 52.5544 19.3121 177.5978 80 V 4.0421 7.6987 116.9601 61.9070 34.9198 174.9128 81 V 3.6172 8.7051 120.3112 64.2360 32.1234 177.0963 *82 F 4.5364 8.8230 130.7122 55.7528 38.6223 173.1661 *83 Y 4.7168 8.4461 134.6779 56.9763 37.3840 177.1022 84 E 4.9012 6.6649 110.5612 56.5616 34.3008 176.3871 85 D 5.7764 8.1663 133.4144 54.9738 42.1016 176.3221 86 P 4.6791 0.0000 0.0000 63.1621 32.1474 178.7671 87 V 5.0602 7.8358 107.5016 62.1724 32.8988 172.4698 88 A 5.0364 8.1966 124.4968 54.1829 19.6987 179.3739 89 A 4.2726 7.6081 117.5707 51.6810 19.1719 178.0869 90 A 4.6950 7.9199 126.4997 53.4163 20.2851 177.7315 91 K 4.0468 8.3679 125.5232 56.6108 32.3211 176.3885 92 T 4.5228 7.7166 106.4298 62.2022 70.4608 173.0244 93 L 4.6668 8.1762 130.3221 54.9892 43.9575 178.2967 94 V 4.0955 7.9063 115.7173 62.0603 32.6475 179.2838 95 Q 4.8017 7.4676 118.5414 54.5720 28.5357 180.3379 *96 F 4.5468 7.5344 123.1319 57.6484 43.9989 177.0345 97 A 4.3707 8.1880 124.2334 53.2805 19.2410 178.0379 98 K 4.6139 7.9169 119.3239 53.7707 32.5306 183.9826 99 S 4.4895 7.7547 119.5487 59.0347 65.0956 176.0655 100 N 5.3136 8.3723 135.0000 52.2548 39.7189 170.9962 101 P 4.5862 0.0000 0.0000 65.2237 31.8827 180.3523 102 K 4.6058 7.7695 121.2063 54.9199 31.8980 180.0938 103 G 4.2275 8.1694 109.0871 46.2330 0.0000 175.0636 104 I 4.5227 7.6977 117.2378 59.5684 37.8894 180.5420 105 P 5.1140 0.0000 0.0000 61.5659 32.9350 177.5960 106 Q 4.7534 7.7542 131.8693 55.6353 31.7854 176.3421 107 V 4.4931 8.6940 114.2894 59.4281 34.7659 179.7732 108 K 4.7374 7.9639 127.1229 55.9821 31.5084 180.7583 109 S 5.7220 7.5410 116.5672 58.5110 65.9745 179.4344 110 G 4.1779 7.9312 112.4156 45.6382 0.0000 173.1954 111 L 4.2409 8.3645 130.8157 55.1064 47.0299 174.0672 112 L 4.3330 7.2739 121.5889 54.5521 42.4732 179.2471 113 Q 4.5509 8.0742 115.4009 55.4767 30.6424 177.3100 114 G 4.1411 8.7070 109.1917 48.2685 0.0000 173.0851 115 Q 4.3110 7.9723 122.8003 55.2740 31.9224 178.6532 116 I 4.7658 8.3016 125.5772 58.8014 37.9132 173.3963 117 L 5.0977 8.1989 134.1862 53.9655 42.7239 179.4645 118 T 4.2843 8.5781 95.5000 62.5711 70.6350 171.0149 119 A 4.2278 8.3645 131.5296 51.8382 18.3753 179.7589 120 K 5.5477 6.9911 133.1069 56.6620 36.7667 178.8014 121 D 5.1764 7.4801 124.5547 53.4752 42.7716 178.3968 122 V 4.6422 8.2382 119.6191 62.5500 34.1459 171.6930 123 E 4.1766 8.8481 124.9196 56.3538 30.2680 174.3004 124 A 4.6476 8.2344 124.0783 52.0066 21.9848 178.0123 125 L 3.8636 8.8456 114.5148 57.5659 40.9800 173.9432 126 A 4.6002 8.0404 121.0411 52.4730 19.1843 177.2426 127 E 4.6015 7.7609 113.3280 56.7055 29.8625 181.7095 128 L 4.7520 8.0274 122.7159 55.2974 43.7103 179.4684 129 P 5.0624 0.0000 0.0000 63.1624 31.7683 179.6673 130 T 4.5182 7.9778 111.7420 63.9150 71.0900 178.3066 131 M 4.3256 8.1532 121.4494 56.4173 32.1174 179.2141 132 D 5.1267 7.9537 118.5146 52.9700 40.9310 180.7642 133 E 4.3372 7.8920 121.8154 56.8552 30.6516 177.1235 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 4 K 8.41 4.30 0.00 1.79 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 5 R 8.45 4.63 0.00 1.85 1.73 0.00 3.20 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 0.00 6 N 7.89 5.11 0.00 2.67 2.60 0.00 0.00 6.66 7.67 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 7 V 7.32 4.53 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 0.78 0.00 0.00 0.93 0.00 0.00 8 E 8.11 4.42 0.00 1.97 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 2.15 1.85 0.00 9 L 7.84 4.68 0.00 1.65 1.56 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.69 4.74 0.00 1.60 1.51 0.92 0.70 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 11 A 8.18 4.67 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 12 T 8.05 4.56 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 13 L 7.69 4.95 0.00 1.59 1.48 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.86 4.69 0.00 1.71 1.59 0.00 1.66 0.00 0.00 2.40 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 0.91 7.81 15 E 8.05 5.11 0.00 1.97 1.88 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 2.17 1.82 0.00 16 N 7.99 5.04 0.00 2.73 2.71 0.00 0.00 6.36 7.79 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 17 L 7.64 4.58 0.00 1.61 1.49 0.92 0.76 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 18 E 8.16 4.82 0.00 1.91 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 2.11 1.84 0.00 19 R 7.41 4.49 0.00 1.77 1.71 0.00 3.28 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 20 A 7.43 4.16 1.18 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 0.00 0.00 21 Q 7.77 4.76 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 22 G 8.52 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 0.00 0.00 0.00 23 S 9.08 4.47 0.00 3.82 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 *24 F 7.72 4.98 0.00 1.90 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 0.00 0.00 0.00 *25 F 8.85 4.98 0.00 2.02 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 0.00 0.00 0.00 0.00 26 L 8.27 4.92 0.00 1.34 1.42 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.15 5.15 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 0.83 0.00 0.00 0.93 0.00 0.00 28 N 8.45 4.76 0.00 2.54 2.69 0.00 0.00 6.99 7.43 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 *29 Y 7.96 4.30 0.00 2.33 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 0.00 0.00 0.00 30 Q 7.50 4.87 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.15 1.88 0.00 31 G 7.21 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 0.00 0.00 0.00 0.00 32 L 7.67 4.38 0.00 1.61 1.38 0.92 0.91 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 33 P 0.00 4.43 0.00 2.08 1.72 0.00 3.65 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 1.94 1.60 0.00 34 A 9.31 4.56 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 35 K 8.12 4.42 0.00 1.76 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 0.97 7.81 36 E 7.98 4.44 0.00 1.98 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 2.20 1.87 0.00 37 T 7.24 4.82 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 *38 H 8.10 4.84 0.00 2.87 2.94 0.00 7.13 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.14 4.83 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 40 L 7.93 4.74 0.00 1.61 1.50 0.92 0.75 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 41 R 7.81 4.73 0.00 1.76 1.77 0.00 3.27 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 42 Q 7.00 4.67 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.71 0.00 0.00 0.00 0.00 0.00 2.12 1.85 0.00 43 A 7.83 5.02 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 44 L 8.15 4.48 0.00 1.67 1.52 0.92 0.69 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 45 K 7.88 4.53 0.00 1.71 1.61 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.96 7.81 46 Q 8.87 4.54 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.32 0.00 0.00 0.00 0.00 0.00 2.15 1.87 0.00 47 N 7.69 5.22 0.00 2.68 2.59 0.00 0.00 6.41 7.51 0.00 0.00 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 G 7.24 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 49 A 8.30 4.78 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 50 R 8.49 4.54 0.00 1.84 1.82 0.00 3.21 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 51 L 8.76 4.97 0.00 1.51 1.48 0.92 0.65 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 *52 F 7.94 4.95 0.00 2.25 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 0.00 0.00 0.00 0.00 53 V 8.15 3.71 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 0.90 0.00 0.00 0.93 0.00 0.00 54 A 8.85 5.44 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 55 K 8.50 4.41 0.00 1.79 1.70 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.00 7.81 56 N 8.21 5.06 0.00 2.64 2.63 0.00 0.00 6.74 7.59 0.00 0.00 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 T 8.13 4.07 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 58 L 7.47 4.43 0.00 1.64 1.91 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.16 3.88 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 1.27 1.10 0.91 0.00 0.00 60 R 8.88 4.38 0.00 1.91 2.08 0.00 3.21 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 61 L 7.25 4.54 0.00 1.70 1.66 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.29 4.58 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 63 L 8.31 4.38 0.00 1.67 1.58 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.90 4.68 0.00 1.70 1.62 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 0.99 7.81 65 E 8.44 4.46 0.00 1.88 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 2.24 1.85 0.00 66 L 7.60 5.07 0.00 1.62 1.52 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.06 4.75 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 68 L 7.88 4.55 0.00 1.63 1.51 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.63 0.00 2.08 1.98 0.00 3.79 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 1.89 1.57 0.00 70 E 7.97 5.58 0.00 1.96 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 1.98 1.66 0.00 71 L 7.06 4.60 0.00 1.52 1.54 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.21 5.39 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.13 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.19 4.41 0.00 1.61 1.47 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.40 4.41 0.00 2.07 1.96 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 1.92 0.00 76 G 8.39 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 77 P 0.00 4.62 0.00 2.10 1.94 0.00 3.72 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 1.92 1.58 0.00 78 S 7.65 4.95 0.00 3.60 3.73 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 79 A 7.38 4.58 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 80 V 7.70 4.04 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 0.66 0.00 0.00 0.93 0.00 0.00 81 V 8.71 3.62 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 0.84 0.00 0.00 0.93 0.00 0.00 *82 F 8.82 4.54 0.00 1.96 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 0.00 0.00 0.00 0.00 *83 Y 8.45 4.72 0.00 2.00 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 0.00 0.00 0.00 84 E 6.66 4.90 0.00 1.98 1.68 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 2.14 2.08 0.00 85 D 8.17 5.78 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.68 0.00 2.08 1.89 0.00 3.75 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 1.94 1.58 0.00 87 V 7.84 5.06 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 0.64 0.00 0.00 0.93 0.00 0.00 88 A 8.20 5.04 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 89 A 7.61 4.27 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 90 A 7.92 4.70 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 91 K 8.37 4.05 0.00 1.78 1.67 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.05 7.81 92 T 7.72 4.52 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 93 L 8.18 4.67 0.00 1.52 1.64 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.91 4.10 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 0.87 0.00 0.00 0.93 0.00 0.00 95 Q 7.47 4.80 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.90 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 *96 F 7.53 4.55 0.00 2.23 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 97 A 8.19 4.37 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 98 K 7.92 4.61 0.00 1.75 1.62 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 0.95 7.81 99 S 7.75 4.49 0.00 3.56 3.63 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 0.00 100 N 8.37 5.31 0.00 2.79 2.72 0.00 0.00 6.75 7.75 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 0.00 101 P 0.00 4.59 0.00 1.98 1.92 0.00 3.69 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 1.96 1.57 0.00 102 K 7.77 4.61 0.00 1.77 1.71 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.00 7.81 103 G 8.17 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 0.00 104 I 7.70 4.52 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 1.16 0.87 0.91 0.00 0.00 105 P 0.00 5.11 0.00 2.02 1.81 0.00 3.78 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 1.79 1.52 0.00 106 Q 7.75 4.75 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.77 0.00 0.00 0.00 0.00 0.00 2.02 1.73 0.00 107 V 8.69 4.49 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 0.91 0.00 0.00 0.93 0.00 0.00 108 K 7.96 4.74 0.00 1.84 1.53 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.12 0.74 7.81 109 S 7.54 5.72 0.00 3.63 3.73 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 0.00 110 G 7.93 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 0.00 0.00 0.00 0.00 111 L 8.36 4.24 0.00 1.52 1.55 0.92 0.57 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 0.00 112 L 7.27 4.33 0.00 1.56 1.61 0.92 0.73 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 0.00 113 Q 8.07 4.55 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 114 G 8.71 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 0.00 115 Q 7.97 4.31 0.00 1.69 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.81 0.00 0.00 0.00 0.00 0.00 2.25 1.92 0.00 116 I 8.30 4.77 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 1.20 0.28 0.91 0.00 0.00 117 L 8.20 5.10 0.00 1.53 1.39 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.58 4.28 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 0.00 119 A 8.36 4.23 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 0.00 120 K 6.99 5.55 0.00 1.82 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.15 0.99 7.81 121 D 7.48 5.18 0.00 2.54 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 0.00 122 V 8.24 4.64 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 0.82 0.00 0.00 0.93 0.00 0.00 123 E 8.85 4.18 0.00 1.76 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 2.26 2.15 0.00 124 A 8.23 4.65 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 0.00 125 L 8.85 3.86 0.00 1.68 1.60 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.04 4.60 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 0.00 127 E 7.76 4.60 0.00 2.04 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 0.00 2.18 2.10 0.00 128 L 8.03 4.75 0.00 1.61 1.55 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 5.06 0.00 2.04 1.90 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 1.82 1.53 0.00 130 T 7.98 4.52 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 0.00 131 M 8.15 4.33 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.10 0.00 132 D 7.95 5.13 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 7.89 4.34 0.00 1.92 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 2.13 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.