NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1378 8.2649 123.5840 47.1931 21.2186 172.5721 2 K 3.6139 8.0143 120.6993 54.3722 32.1567 174.7221 3 Q 3.9508 8.4057 126.0726 58.9786 30.0429 177.4462 4 S 4.1079 8.0797 114.5628 62.1254 62.6343 176.1597 5 M 4.0032 8.0543 122.2331 57.8465 31.2897 178.6459 6 K 3.8793 8.3955 118.4484 59.5951 32.3103 179.2285 7 A 3.8297 8.2585 121.0792 54.9757 18.1515 179.5083 8 R 3.8308 7.8896 116.8177 59.6479 30.2872 178.2927 9 E 3.8677 7.8058 118.7605 59.5064 29.5225 179.0744 10 V 3.5561 7.2652 117.4170 65.9777 31.5964 177.7146 11 K 3.8374 7.8230 117.8543 59.8457 31.8824 179.2318 12 R 3.9781 7.6857 117.7754 59.4254 29.9442 179.1733 13 V 3.5350 7.6640 117.1470 66.1082 31.3105 177.7314 14 A 4.0097 8.0884 120.4683 55.0393 18.3346 179.2649 15 L 4.0428 8.0543 116.5405 58.0552 41.8295 179.5447 16 A 4.7453 8.0762 121.9503 54.8270 17.9949 179.3035 17 D 4.4241 7.5139 114.9301 56.7100 41.2918 178.6271 18 K 3.9308 8.0848 118.6932 59.4480 32.4231 177.0139 19 Y 4.3680 8.4320 114.8157 57.6971 39.2759 178.5867 20 F 3.9222 7.4171 121.0074 61.0852 40.0243 178.1837 21 A 4.3025 7.8666 122.5276 54.5666 18.6738 178.2386 22 K 5.3196 9.0438 113.9483 56.8925 34.7923 178.8104 23 R 4.0494 7.9128 117.0604 58.7091 29.7230 178.3608 24 A 3.4438 8.1930 120.6879 54.3490 18.0620 179.4056 25 E 3.7530 7.7424 116.7674 59.0474 29.4068 178.7430 26 L 3.8642 7.9293 121.2003 58.1305 41.8511 179.1812 27 K 3.8759 7.4568 117.8101 60.1102 32.2737 178.5147 28 A 4.1996 7.5814 119.4230 53.1299 18.4153 177.7933 29 I 4.0040 7.5189 117.7524 62.2577 38.0813 177.8199 30 I 3.6788 6.8790 125.9359 65.0750 38.0016 177.6590 31 S 4.2549 7.9778 114.1457 60.6157 62.9310 174.2987 32 D 4.5705 7.3275 120.0695 53.1513 41.6094 176.9686 33 V 3.9721 7.9810 121.8382 62.9469 29.9921 174.7365 34 N 4.8615 8.1553 120.3010 52.6063 41.5511 175.7858 35 A 4.4364 8.2623 120.5004 52.2947 21.2609 179.5066 *40 R 4.2099 7.5326 120.3296 55.5338 31.1709 174.5125 41 W 4.4779 8.1543 129.0269 56.3447 31.7626 174.9430 42 N 4.1240 8.2861 125.2190 56.6722 38.2602 175.9658 43 A 3.8094 6.9496 120.0785 55.3142 18.6359 179.0497 44 V 3.8246 8.2882 115.6618 66.4696 31.6500 177.9210 45 L 4.0309 8.1123 119.6186 57.8526 41.5978 178.2581 46 K 4.4419 8.1859 115.7700 56.7260 32.1389 177.0508 47 L 4.5860 7.7992 120.9901 56.2468 44.6337 178.2344 48 Q 4.0473 8.2105 115.3674 58.2154 28.4543 176.4332 49 T 4.5292 7.2816 116.1979 62.2218 69.5086 173.0726 50 L 4.5915 8.0352 134.1256 55.9303 42.4374 173.8040 51 P 3.9429 0.0000 0.0000 64.3052 31.2874 175.1224 52 R 3.7976 7.4714 119.4198 56.6780 29.5542 176.0765 53 D 4.3867 7.8911 120.6377 55.9650 42.0466 177.3651 54 S 4.1700 7.5053 112.3708 60.4393 63.2267 173.7908 55 S 3.6331 7.7019 118.3737 57.9102 62.7463 173.1602 56 P 4.4976 0.0000 0.0000 64.2487 31.3327 176.6455 57 S 4.7472 7.4090 113.8644 58.8613 62.9585 174.8325 58 R 4.4916 7.7238 117.5738 55.9188 31.4564 176.4869 59 Q 4.2423 7.7944 117.0989 55.8732 29.3205 175.6524 60 R 4.4076 9.0886 115.6320 55.2232 29.5967 175.8876 61 N 3.8089 8.4839 113.2695 50.6572 38.0042 173.4463 62 R 4.3087 7.5241 120.4212 55.2245 30.5090 175.9533 63 C 4.3008 8.3051 119.9079 59.5012 31.7015 174.5107 64 R 4.0402 8.5833 128.2553 58.2871 29.2089 175.6424 65 Q 4.3739 7.1969 116.2431 58.1438 31.2550 176.4312 66 T 3.9457 7.8826 110.3072 65.5490 69.6682 176.0628 67 G 4.2941 8.5217 107.4846 44.5232 0.0000 173.0253 68 R 3.8740 8.2946 120.8632 55.8565 30.2010 174.9609 69 P 4.3530 0.0000 0.0000 66.2739 32.9402 177.8627 70 H 4.4503 8.7032 113.5910 55.5194 27.6443 178.2492 71 G 4.0123 8.9772 123.7721 45.9956 0.0000 172.5939 72 F 5.0311 8.4152 126.5337 56.9118 42.8732 174.1540 73 L 4.0921 5.8778 122.9915 54.0398 43.9105 176.6129 74 R 3.9933 8.8011 123.7849 59.3091 29.4729 177.8249 75 K 3.2580 7.1792 114.5636 60.7614 31.4212 177.1233 76 F 4.2842 6.8878 117.6345 58.3670 39.8853 177.4168 77 G 3.6764 8.6977 108.6939 45.7806 0.0000 172.8227 78 L 5.0477 6.9291 115.7942 51.8585 45.3140 176.6344 79 S 5.2122 8.7352 115.1111 57.7115 63.6260 175.3889 80 R 3.9495 8.6443 117.8411 59.7469 29.3947 179.0232 81 I 3.7375 7.7946 119.0659 64.3238 37.2467 178.1481 82 K 3.9141 7.6506 118.3185 59.3708 31.7791 179.4196 83 V 3.3442 7.6210 118.4513 66.1327 31.3136 177.7330 84 R 3.8055 7.4185 117.5019 59.5088 29.4929 177.8680 85 E 3.8735 8.0721 117.3391 59.7228 29.5931 179.6833 86 A 3.8409 8.1849 120.1910 54.8730 18.5314 179.3969 87 A 3.8232 8.3639 119.6908 55.7346 18.2508 179.9182 88 M 4.0439 8.0031 115.5946 58.2553 32.1187 177.8884 89 R 4.0589 7.2904 115.5868 56.5729 30.4860 177.4963 90 G 3.9494 8.2135 107.0477 45.4414 0.0000 175.3829 91 E 3.9752 8.0475 119.9727 58.1602 29.6118 177.0996 92 I 4.3832 6.8553 120.3698 58.4603 38.5832 173.8173 93 P 4.3495 0.0000 0.0000 63.5246 32.0047 178.2854 94 G 4.0174 8.8168 109.8432 46.4899 0.0000 174.0581 95 L 4.1813 7.9789 122.0762 54.7548 42.5607 175.8536 96 K 4.3212 8.2084 122.5524 55.5329 34.7628 174.5609 97 K 3.7371 8.7634 118.8918 56.9417 31.8530 176.5841 98 A 4.5079 8.5125 127.4592 51.6626 19.4706 177.7350 99 S 4.3148 8.5273 116.4352 57.3811 63.5545 174.5739 100 W 4.4817 8.0288 124.1237 56.8865 28.1301 176.5293 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 A 8.26 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 2 K 8.01 3.61 0.00 2.05 1.86 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 3 Q 8.41 3.95 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 S 8.08 4.11 0.00 4.08 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 5 M 8.05 4.00 0.00 2.03 2.16 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 2.68 2.58 0.00 6 K 8.40 3.88 0.00 2.06 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.78 7.81 7 A 8.26 3.83 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 8 R 7.89 3.83 0.00 2.10 2.01 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 9 E 7.81 3.87 0.00 2.01 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 0.00 2.30 2.37 0.00 10 V 7.27 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 0.98 0.00 0.00 0.93 0.00 0.00 11 K 7.82 3.84 0.00 1.91 1.86 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.80 1.65 7.81 12 R 7.69 3.98 0.00 1.95 1.93 0.00 3.09 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 13 V 7.66 3.53 2.24 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 1.01 0.00 0.00 0.96 0.00 0.00 14 A 8.09 4.01 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 15 L 8.05 4.04 0.00 1.83 1.80 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.08 4.75 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 17 D 7.51 4.42 0.00 2.93 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 18 K 8.08 3.93 0.00 1.96 1.59 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.67 7.81 19 Y 8.43 4.37 0.00 3.27 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 20 F 7.42 3.92 0.00 3.37 3.17 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 0.00 0.00 0.00 0.00 21 A 7.87 4.30 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 22 K 9.04 5.32 0.00 1.72 1.80 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.34 7.81 23 R 7.91 4.05 0.00 1.88 1.92 0.00 3.35 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 24 A 8.19 3.44 1.19 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 0.00 0.00 0.00 25 E 7.74 3.75 0.00 2.15 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 2.32 2.30 0.00 26 L 7.93 3.86 0.00 1.64 1.91 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.46 3.88 0.00 1.86 2.00 0.00 1.27 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.64 7.81 28 A 7.58 4.20 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 29 I 7.52 4.00 1.99 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 1.50 1.21 0.87 0.00 0.00 30 I 6.88 3.68 1.90 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 1.44 0.25 0.86 0.00 0.00 31 S 7.98 4.25 0.00 4.05 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 32 D 7.33 4.57 0.00 2.76 2.94 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 33 V 7.98 3.97 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 0.86 0.00 0.00 0.94 0.00 0.00 34 N 8.16 4.86 0.00 2.63 2.48 0.00 0.00 6.98 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 35 A 8.26 4.44 1.14 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 *40 R 7.53 4.21 0.00 1.88 1.99 0.00 3.39 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 41 W 8.15 4.48 0.00 3.34 2.99 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 42 N 8.29 4.12 0.00 2.59 2.42 0.00 0.00 7.01 8.15 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 43 A 6.95 3.81 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 44 V 8.29 3.82 2.56 0.00 0.00 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 1.09 0.00 0.00 45 L 8.11 4.03 0.00 1.86 1.80 0.93 0.25 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 46 K 8.19 4.44 0.00 1.91 1.79 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.61 7.81 47 L 7.80 4.59 0.00 1.64 1.78 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.21 4.05 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.43 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 49 T 7.28 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 50 L 8.04 4.59 0.00 1.67 1.71 0.88 0.77 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 51 P 0.00 3.94 0.00 1.94 1.64 0.00 3.91 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 52 R 7.47 3.80 0.00 2.04 1.83 0.00 3.20 0.00 0.00 3.23 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 53 D 7.89 4.39 0.00 2.58 2.61 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 54 S 7.51 4.17 0.00 3.68 3.26 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 55 S 7.70 3.63 0.00 3.79 3.64 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 56 P 0.00 4.50 0.00 2.20 2.20 0.00 3.78 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 2.04 2.13 0.00 57 S 7.41 4.75 0.00 3.94 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 58 R 7.72 4.49 0.00 1.81 1.86 0.00 3.23 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 59 Q 7.79 4.24 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.41 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 60 R 9.09 4.41 0.00 1.71 1.86 0.00 3.16 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.49 0.00 61 N 8.48 3.81 0.00 2.09 1.64 0.00 0.00 7.15 7.66 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 62 R 7.52 4.31 0.00 1.98 2.06 0.00 3.26 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 63 C 8.31 4.30 0.00 3.06 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 64 R 8.58 4.04 0.00 2.14 2.01 0.00 3.38 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 1.69 1.67 0.00 65 Q 7.20 4.37 0.00 2.03 1.94 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 2.26 2.38 0.00 66 T 7.88 3.95 4.26 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 1.22 0.00 0.00 67 G 8.52 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 68 R 8.29 3.87 0.00 1.90 1.93 0.00 3.23 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 69 P 0.00 4.35 0.00 2.10 2.12 0.00 3.84 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 1.91 1.94 0.00 70 H 8.70 4.45 0.00 3.22 2.78 0.00 5.74 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 71 G 8.98 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 0.00 0.00 0.00 72 F 8.42 5.03 0.00 3.11 2.94 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 73 L 5.88 4.09 0.00 1.62 1.41 1.16 1.04 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 74 R 8.80 3.99 0.00 1.77 2.06 0.00 3.52 0.00 0.00 3.51 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 75 K 7.18 3.26 0.00 1.20 0.77 0.00 1.40 0.00 0.00 1.41 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 F 6.89 4.28 0.00 3.13 2.99 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 77 G 8.70 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 0.00 0.00 0.00 78 L 6.93 5.05 0.00 1.70 1.51 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.74 5.21 0.00 4.07 4.09 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 0.00 0.00 0.00 0.00 80 R 8.64 3.95 0.00 2.03 2.30 0.00 2.98 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 81 I 7.79 3.74 1.88 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 0.92 0.91 0.00 0.00 82 K 7.65 3.91 0.00 1.87 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 83 V 7.62 3.34 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 0.48 0.00 0.00 0.94 0.00 0.00 84 R 7.42 3.81 0.00 2.01 2.05 0.00 3.16 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 85 E 8.07 3.87 0.00 2.03 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 2.32 2.49 0.00 86 A 8.18 3.84 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 87 A 8.36 3.82 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 88 M 8.00 4.04 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 89 R 7.29 4.06 0.00 1.75 1.95 0.00 3.18 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 90 G 8.21 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 91 E 8.05 3.98 0.00 1.99 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 2.32 2.38 0.00 92 I 6.86 4.38 1.75 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.43 0.87 0.00 0.00 93 P 0.00 4.35 0.00 2.24 2.19 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 94 G 8.82 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 95 L 7.98 4.18 0.00 1.64 1.54 1.05 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.21 4.32 0.00 1.86 1.73 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.44 7.81 97 K 8.76 3.74 0.00 1.78 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.41 7.81 98 A 8.51 4.51 1.53 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 0.00 0.00 0.00 99 S 8.53 4.31 0.00 3.88 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 0.00 100 W 8.03 4.48 0.00 3.41 3.21 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.