NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5396 8.1933 115.5568 58.7030 65.0864 171.4136 1 M 4.9057 8.3769 118.4406 53.2536 34.3403 174.1470 2 K 4.7763 9.7119 122.4520 54.4604 37.0985 174.5857 3 K 4.8190 9.2227 125.1865 55.2352 34.1116 174.9985 4 I 4.9392 8.8369 128.6597 59.6633 39.7038 174.5160 5 E 5.1886 9.1375 125.6059 54.4628 33.6405 174.6987 6 A 4.6326 8.7973 124.2437 50.0711 23.2776 174.7073 7 I 4.9034 8.1560 121.7450 59.6002 39.5980 175.0990 8 I 5.1440 8.5673 119.9087 57.2853 41.7670 174.9457 9 R 4.1595 8.4758 121.3480 56.6780 30.5976 178.3227 10 S 4.1173 8.9735 119.6664 61.7016 63.0506 175.9739 11 D 4.5414 8.0199 117.3180 54.8955 39.6004 177.1729 12 K 4.4148 7.9639 119.7277 56.2230 32.1567 177.6530 13 L 3.9191 7.6461 123.0915 58.3596 42.0137 178.7577 14 E 3.9234 8.0938 118.6090 59.2489 29.5668 178.2609 15 D 4.2994 8.0027 118.4327 57.2490 40.9198 178.1123 16 L 3.9060 7.8914 120.7289 58.0987 42.0361 178.7747 17 K 3.8426 8.1716 119.0929 59.5840 32.1517 178.3567 18 A 3.9712 8.4571 120.9840 55.2639 18.3030 179.3967 19 A 3.9784 8.3205 119.5030 55.4280 18.3059 179.8955 20 L 4.1979 8.3288 119.1230 56.9196 41.6908 179.7562 21 V 3.5593 8.2618 118.8578 66.1769 31.2974 177.8131 22 Q 3.9860 7.9661 117.9774 59.0880 28.8336 177.8460 23 S 4.4122 8.2628 113.7798 58.8121 63.2608 175.7112 24 G 3.8101 7.9700 110.7887 46.1749 0.0000 174.5994 25 F 4.6167 7.7708 117.6834 57.6998 39.2113 177.3034 26 I 3.7166 7.8021 119.1414 64.2939 37.4549 177.4596 27 K 4.1483 8.1126 117.6112 58.4945 31.8643 178.3821 28 G 3.8845 8.3550 104.9915 44.4867 0.0000 172.3202 29 M 4.9883 7.6768 122.1769 54.3166 33.5507 175.2740 30 T 4.9020 8.9822 116.3762 59.7799 72.0645 172.9263 31 I 5.2287 8.2839 116.2492 59.4906 40.8728 174.1593 32 S 4.7402 9.1667 117.8611 57.4771 67.1824 172.2138 33 Q 5.1465 8.5739 118.3588 54.2942 30.9792 175.7218 34 V 4.6087 8.8430 115.7491 59.6534 36.6351 174.1368 35 L 4.8380 8.4951 121.8691 53.4876 43.2863 176.1506 36 G 4.2845 8.6993 110.1783 44.3058 0.0000 171.0927 37 F 5.2383 8.6296 117.1067 56.1374 41.8358 175.2203 38 G 3.7603 8.9926 112.7584 47.4930 0.0000 174.1484 *55 T 4.2053 7.4805 116.2238 62.9990 70.2464 172.8516 56 L 4.6465 8.4947 125.3377 53.3085 43.3610 175.9168 57 L 4.7700 8.5180 123.0207 52.7354 45.6877 175.4588 58 A 4.8659 8.5705 124.4859 50.6022 20.1846 176.1686 59 K 4.5887 8.8690 121.3156 55.2208 36.2083 175.3872 60 V 4.6882 8.1353 120.6122 61.1828 33.8599 174.0651 61 K 4.9228 9.0971 129.5782 54.8333 34.1808 174.8260 62 V 4.8625 8.9024 127.5169 61.2140 34.3169 174.1087 63 E 5.1403 9.0965 125.9247 54.8372 33.8823 174.3312 64 I 5.0096 8.6777 122.5041 59.7815 42.1597 173.1951 65 V 4.9295 8.3717 127.1544 61.2153 33.3669 174.4308 66 A 4.7965 8.9977 128.2514 50.2803 23.2994 175.1741 67 H 4.4976 8.7441 116.2428 55.6913 29.8949 176.2824 68 D 4.3368 9.4919 122.9290 57.8822 40.7253 179.0480 69 A 4.1375 8.1189 118.6509 53.9497 18.6703 178.0563 70 A 4.5537 7.9940 118.2310 51.9731 19.5598 178.8508 71 V 3.4465 7.5544 117.8432 66.0963 31.6255 177.8868 72 E 3.9349 8.0991 117.7269 59.2532 29.2560 178.9011 73 E 3.9037 8.0272 118.9437 59.3111 29.8101 178.1664 74 M 3.7203 8.0975 118.5765 58.6706 32.2203 177.9133 75 I 3.6089 7.8377 120.1068 65.0754 37.2840 178.5930 76 T 3.9177 7.8772 116.1582 66.6166 68.3225 177.1159 77 T 3.8486 8.2329 118.1281 66.7029 68.4143 176.4825 78 I 3.6404 7.8065 121.6042 64.5971 37.1826 178.6330 79 S 4.0690 8.1098 115.7424 61.7254 62.4737 176.5589 80 Q 3.9508 8.0483 120.7115 59.2264 28.8565 177.9781 81 A 4.1760 7.7674 120.3643 53.8090 18.5856 178.0148 82 V 4.2382 7.3365 114.2378 62.2524 33.3163 175.8743 83 K 4.5023 7.8502 118.4846 57.5035 33.0966 176.9528 84 T 4.5371 9.3928 106.9341 60.9243 70.8276 174.2343 85 G 3.7768 8.1120 109.9614 47.1090 0.0000 173.5858 86 E 3.6615 7.3845 115.8510 56.8155 27.8136 173.8936 87 V 4.2544 7.8819 118.9049 62.2795 32.2836 174.7459 88 G 3.8420 8.2345 104.3240 45.6382 0.0000 176.3145 89 D 4.3617 8.1848 120.5939 56.1138 41.8341 175.9630 90 G 4.3112 6.3082 100.0538 44.6968 0.0000 172.6974 91 K 4.7367 8.3426 117.1644 55.4680 36.3375 175.0936 92 I 4.6333 8.2273 121.6957 59.4762 40.0312 174.8884 93 F 5.1005 8.3692 124.8668 55.6518 42.6970 174.0569 94 V 5.0308 8.5951 122.2125 61.2548 33.6562 174.7974 95 S 4.9328 9.2275 121.5615 55.6637 66.7204 171.6214 96 P 4.6800 0.0000 0.0000 63.0572 32.0072 175.5241 97 V 4.3841 7.8726 120.9112 61.5294 33.3548 175.3476 98 D 4.5796 8.9991 127.6838 56.8468 41.3379 176.4529 99 E 4.7456 7.5193 112.9148 55.2089 31.8908 174.0993 100 I 4.5108 8.2102 120.2173 59.0636 40.8116 174.5629 101 V 4.3310 8.2800 126.2653 60.9678 33.4077 174.7899 102 R 4.3347 8.4587 126.4055 55.1533 30.7924 176.5077 103 I 3.9389 8.3176 122.8550 61.6278 37.1367 175.8817 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 0 S 8.19 4.54 0.00 3.93 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.38 4.91 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 2 K 9.71 4.78 0.00 1.57 1.65 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.49 7.81 3 K 9.22 4.82 0.00 1.79 1.69 0.00 1.62 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.42 7.81 4 I 8.84 4.94 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.52 0.80 0.00 0.00 5 E 9.14 5.19 0.00 1.97 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 2.26 2.30 0.00 6 A 8.80 4.63 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.16 4.90 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.14 0.94 0.00 0.00 8 I 8.57 5.14 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.13 0.85 0.00 0.00 9 R 8.48 4.16 0.00 1.78 1.99 0.00 3.27 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 10 S 8.97 4.12 0.00 3.86 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 11 D 8.02 4.54 0.00 2.77 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 12 K 7.96 4.41 0.00 1.95 1.83 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.76 7.81 13 L 7.65 3.92 0.00 1.85 1.66 0.91 0.87 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 14 E 8.09 3.92 0.00 2.11 1.92 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 2.37 2.46 0.00 15 D 8.00 4.30 0.00 2.72 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 16 L 7.89 3.91 0.00 1.75 1.82 0.89 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.17 3.84 0.00 1.94 1.95 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 18 A 8.46 3.97 1.37 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 0.00 0.00 19 A 8.32 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 20 L 8.33 4.20 0.00 1.72 1.81 0.92 0.78 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 21 V 8.26 3.56 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 0.99 0.00 0.00 0.97 0.00 0.00 22 Q 7.97 3.99 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 23 S 8.26 4.41 0.00 4.31 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 24 G 7.97 3.81 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 0.00 0.00 0.00 25 F 7.77 4.62 0.00 3.05 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 26 I 7.80 3.72 1.90 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 1.65 1.48 0.92 0.00 0.00 27 K 8.11 4.15 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 28 G 8.36 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 29 M 7.68 4.99 0.00 2.16 1.97 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 2.54 2.47 0.00 30 T 8.98 4.90 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 1.22 0.00 0.00 31 I 8.28 5.23 1.86 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 1.40 0.61 0.90 0.00 0.00 32 S 9.17 4.74 0.00 3.84 3.96 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 33 Q 8.57 5.15 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 34 V 8.84 4.61 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 0.75 0.00 0.00 0.94 0.00 0.00 35 L 8.50 4.84 0.00 1.43 1.33 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.70 4.28 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 0.00 37 F 8.63 5.24 0.00 2.93 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 38 G 8.99 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 *55 T 7.48 4.21 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 1.27 0.00 0.00 56 L 8.49 4.65 0.00 1.49 1.49 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.52 4.77 0.00 1.41 1.44 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.57 4.87 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 59 K 8.87 4.59 0.00 1.64 1.81 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.47 7.81 60 V 8.14 4.69 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 1.00 0.00 0.00 0.92 0.00 0.00 61 K 9.10 4.92 0.00 1.89 1.65 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.42 7.81 62 V 8.90 4.86 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 0.94 0.00 0.00 0.89 0.00 0.00 63 E 9.10 5.14 0.00 1.89 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 2.23 2.25 0.00 64 I 8.68 5.01 1.84 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 1.02 1.63 0.88 0.00 0.00 65 V 8.37 4.93 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 66 A 9.00 4.80 1.10 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 67 H 8.74 4.50 0.00 3.29 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 9.49 4.34 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.12 4.14 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.99 4.55 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 0.00 0.00 71 V 7.55 3.45 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 1.09 0.00 0.00 0.95 0.00 0.00 72 E 8.10 3.93 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 73 E 8.03 3.90 0.00 2.09 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 0.00 2.50 2.46 0.00 74 M 8.10 3.72 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 75 I 7.84 3.61 1.96 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 1.46 0.55 0.88 0.00 0.00 76 T 7.88 3.92 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 1.21 0.00 0.00 77 T 8.23 3.85 4.38 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 1.25 0.00 0.00 78 I 7.81 3.64 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.84 0.00 0.00 79 S 8.11 4.07 0.00 3.92 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 80 Q 8.05 3.95 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 81 A 7.77 4.18 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 82 V 7.34 4.24 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 0.83 0.00 0.00 0.93 0.00 0.00 83 K 7.85 4.50 0.00 1.92 1.85 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.37 7.81 84 T 9.39 4.54 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 85 G 8.11 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 86 E 7.38 3.66 0.00 1.88 1.92 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 2.24 2.22 0.00 87 V 7.88 4.25 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 88 G 8.23 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 89 D 8.18 4.36 0.00 2.71 2.72 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 90 G 6.31 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 91 K 8.34 4.74 0.00 1.93 1.94 0.00 1.86 0.00 0.00 1.98 0.00 0.00 3.23 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.48 1.59 7.81 92 I 8.23 4.63 1.78 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 1.18 0.56 0.78 0.00 0.00 93 F 8.37 5.10 0.00 2.91 2.83 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 0.00 0.00 0.00 94 V 8.60 5.03 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 0.84 0.00 0.00 0.93 0.00 0.00 95 S 9.23 4.93 0.00 3.86 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 96 P 0.00 4.68 0.00 2.10 2.10 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 97 V 7.87 4.38 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 0.81 0.00 0.00 0.97 0.00 0.00 98 D 9.00 4.58 0.00 2.71 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 99 E 7.52 4.75 0.00 2.03 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 2.17 2.27 0.00 100 I 8.21 4.51 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 1.30 0.96 0.91 0.00 0.00 101 V 8.28 4.33 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 0.00 102 R 8.46 4.33 0.00 1.84 1.86 0.00 3.43 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 1.60 1.59 0.00 103 I 8.32 3.94 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 1.28 0.47 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.