NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9677 8.3549 109.7199 45.5902 0.0000 175.3099 17 I 3.5573 7.2815 119.9155 63.4472 37.3195 175.3888 18 T 3.9473 7.7815 117.0275 62.6161 69.9831 174.6681 19 G 3.4722 7.2278 112.9790 45.1237 0.0000 170.5080 20 T 4.5275 7.4236 117.2517 61.4065 70.5381 174.1482 21 W 4.8017 8.3968 125.7150 54.9202 33.2350 174.1324 22 Y 5.5734 9.4229 119.5680 56.4923 41.9095 174.8478 23 N 5.4064 9.1892 120.6184 50.1330 40.0234 175.8385 24 Q 4.1286 8.7692 116.5333 58.3646 28.5381 177.0735 25 L 4.4804 8.2884 116.5074 54.4251 42.4190 176.9132 26 G 4.0621 8.3378 107.0949 44.9697 0.0000 174.0708 27 S 4.7674 9.0048 116.4001 58.2990 64.8494 173.3019 28 T 5.1622 8.4573 118.4869 61.7217 72.1523 173.1341 29 F 5.0920 9.1945 120.8887 55.1919 41.3901 173.4932 30 I 4.4510 8.2548 124.6258 59.8117 38.5852 175.3476 31 V 4.9012 8.4141 119.7738 59.7264 36.4960 174.6461 32 T 4.7360 8.7245 118.2465 61.7421 71.8168 172.9444 33 A 4.8390 8.3615 128.3486 50.5923 19.9987 177.0310 34 G 4.0546 9.2497 110.6217 44.7754 0.0000 174.5712 35 A 4.0824 8.8502 123.3872 54.8732 18.8192 178.6109 36 D 4.7055 7.9187 112.8782 53.3635 40.8976 176.3461 37 G 2.9943 8.0322 105.3096 45.4636 0.0000 171.6976 38 A 4.8930 7.7957 120.9586 50.7436 21.0557 176.8576 39 L 5.3221 9.0139 121.4482 53.1779 44.5817 175.9163 40 T 4.9492 9.4963 113.0562 59.5218 72.7110 174.7430 41 G 4.3053 7.2381 107.7119 46.0616 0.0000 171.0361 42 T 5.1543 7.6671 108.7567 60.1425 72.7071 172.2440 43 Y 5.1576 9.4521 124.6966 56.3085 41.7946 174.2480 44 E 5.9800 8.9710 124.0767 54.6333 34.3848 175.6280 45 S 4.7052 8.6762 113.1737 58.4573 65.9760 174.9179 *49 N 4.4127 8.1070 116.5495 52.0951 38.3240 174.9915 50 A 4.0278 8.6806 125.1812 55.1505 18.6526 179.0721 51 E 3.9702 8.1959 112.8841 59.0781 29.6491 177.7810 52 S 4.9424 8.2884 113.3947 57.9788 64.4384 173.1347 53 R 5.1734 8.0046 121.3058 55.8611 31.0689 175.1354 54 Y 4.9356 9.0623 122.8943 56.1896 42.7738 174.5982 55 V 4.4512 8.5803 122.4931 62.5506 32.6112 175.0851 56 L 5.1871 8.9018 127.2100 54.4467 43.8488 175.1752 57 T 4.9082 8.3455 113.9669 61.2533 71.4626 173.4235 58 G 4.5839 8.1770 111.1665 46.7285 0.0000 172.0844 59 R 6.0300 8.5227 117.0470 54.2557 34.9939 173.9749 60 Y 5.3135 8.1163 117.3890 55.4993 41.5954 174.4732 61 D 4.3634 9.1164 120.8391 54.0022 40.5626 176.9142 62 S 4.4108 8.1934 120.8106 59.3275 63.9240 174.7612 63 A 4.6643 8.4336 124.1999 50.2965 18.9469 173.3717 64 P 4.8606 0.0000 0.0000 60.6451 32.8313 177.0462 65 A 4.2195 8.3470 121.6942 52.8261 18.7129 177.2869 66 T 4.5457 8.3653 108.5095 61.6252 68.9814 174.7905 67 D 4.6146 8.0457 119.2503 53.7036 39.7553 176.9396 68 G 4.0433 8.2502 107.5664 45.5161 0.0000 174.3184 69 S 4.3314 8.0987 115.6317 58.1123 63.4251 174.1064 70 G 4.0428 8.3169 110.0893 46.1590 0.0000 172.6407 71 T 4.8246 9.1089 116.6291 61.6747 70.2491 174.9152 72 A 4.9214 8.7189 129.0338 52.1682 20.1082 175.8457 73 L 4.9915 8.9902 120.1132 55.5964 44.8407 173.8985 74 G 4.6897 9.1624 104.9722 45.3093 0.0000 172.0738 75 W 5.9368 8.7631 117.3418 55.5474 32.4469 173.4907 76 T 5.2468 9.2085 116.4060 61.8684 72.2542 173.3854 77 V 4.5098 8.6391 124.1644 60.9582 34.8097 173.8622 78 A 4.3904 8.3227 129.3239 49.7729 20.2020 178.0703 79 W 4.2040 8.2571 125.1794 55.3231 28.0081 176.0930 80 K 5.2927 7.7932 118.4100 54.6588 35.2430 174.6628 81 N 5.0208 9.3769 123.3929 51.8660 39.6057 174.2240 82 N 4.1068 8.5755 113.5844 55.5883 38.8044 175.1520 83 Y 4.6967 7.9438 114.6009 58.3193 40.0587 176.0787 84 R 4.7056 7.7225 117.4050 54.9423 34.4528 174.0266 85 N 5.2084 8.5208 119.3671 52.7216 40.4844 173.8650 86 A 4.2674 8.9255 128.7370 51.9446 19.8546 176.1849 87 H 4.1897 8.8856 113.4177 55.9765 26.7286 173.5272 88 S 5.0782 7.5895 111.4817 57.8385 67.0536 173.5853 89 A 4.9844 9.0773 120.6336 50.8961 22.8424 175.3275 90 T 5.0201 8.6101 117.3903 61.7099 72.0416 173.2910 91 T 4.8986 8.5338 115.3366 59.6121 71.9023 172.6749 92 W 4.8983 8.7743 125.2209 54.7853 31.7883 174.7241 93 S 4.9542 8.5604 119.1847 56.8514 64.7363 172.6386 94 G 4.5128 8.7727 114.4091 46.5079 0.0000 171.6841 95 Q 5.3128 8.3467 117.9464 54.9149 32.7634 173.5633 96 Y 4.9769 9.2321 123.4326 56.7159 40.8119 174.2256 97 V 4.3090 8.1915 126.2574 60.8121 34.3595 174.8017 98 G 3.8789 8.5216 115.4710 45.5936 0.0000 174.0318 99 G 4.0154 8.1820 107.7161 45.8531 0.0000 171.6322 100 A 4.0009 8.9674 122.2987 54.8342 18.2839 177.8178 101 E 4.4704 7.8830 117.9145 53.8288 30.5716 175.2212 102 A 4.4664 8.5498 128.9820 52.5399 19.0900 176.3564 103 R 5.2700 9.3194 117.6649 55.1456 33.9437 173.9120 104 I 4.9537 8.6850 120.1915 59.7861 40.4052 174.3016 105 N 5.3736 8.9236 125.1806 52.0588 40.3781 174.5061 106 T 5.3226 9.4708 113.6785 60.0679 73.0523 172.6476 107 Q 5.2684 8.8047 120.8149 53.9380 32.2069 174.8608 108 W 5.4801 8.5655 118.6931 54.7380 32.4113 173.7974 109 L 5.2429 8.8551 120.2030 52.9090 45.0614 175.2609 110 L 5.1300 9.2104 125.6822 53.6155 44.9367 174.8933 111 T 5.0352 8.7671 123.1395 61.9923 70.9786 173.6073 112 S 5.1197 8.6227 122.4200 56.4843 65.2749 174.3658 113 G 3.8518 8.6645 111.7965 46.5115 0.0000 173.1570 114 T 4.7535 8.3431 115.4510 59.3423 72.1193 173.6545 115 T 4.1438 8.0135 112.7814 61.1856 69.8564 175.1502 116 E 4.0488 8.6046 119.8504 58.9090 29.7106 179.4075 117 A 4.1122 8.0317 120.7120 54.3992 19.0424 177.6156 118 N 4.6300 7.8941 111.5102 52.9907 39.0258 176.8934 119 A 4.1081 7.9670 124.3711 54.1483 18.5861 180.5509 120 W 4.4011 8.2977 112.2940 58.4919 28.2132 176.6645 121 K 4.2327 6.6030 118.0844 56.2381 32.2304 177.0545 122 S 4.3268 7.8720 115.0030 60.2374 63.7726 173.2541 123 T 5.1149 7.5001 117.4560 61.8728 71.2041 173.4617 124 L 4.7284 8.8916 126.8093 53.5369 44.0376 176.0466 125 V 4.2301 7.7289 120.0863 60.2987 34.5126 175.1886 126 G 3.2792 6.4798 108.2737 46.0233 0.0000 171.2269 127 H 5.4469 8.1973 113.6685 54.6022 31.7094 172.3071 128 D 5.0848 9.2904 118.2124 53.5258 45.1906 173.9484 129 T 5.2626 10.4562 120.3004 61.9204 72.4889 173.0219 130 F 5.5005 9.5929 124.7866 56.1888 42.6170 174.5202 131 T 5.5563 9.4875 110.9516 60.4152 72.3650 174.7741 132 K 3.9492 8.8271 120.2292 57.5423 32.6245 177.6169 133 V 3.9209 7.7396 123.2941 62.8278 31.4771 175.1226 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 16 G 8.35 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 17 I 7.28 3.56 1.36 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.32 0.56 0.00 0.00 18 T 7.78 3.95 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 1.14 0.00 0.00 19 G 7.23 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.42 4.53 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 0.71 0.00 0.00 21 W 8.40 4.80 0.00 2.78 3.13 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 22 Y 9.42 5.57 0.00 2.95 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 23 N 9.19 5.41 0.00 2.53 2.46 0.00 0.00 6.61 7.01 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 24 Q 8.77 4.13 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 25 L 8.29 4.48 0.00 1.70 1.76 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.34 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.00 4.77 0.00 3.87 4.03 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 0.00 0.00 0.00 28 T 8.46 5.16 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 1.08 0.00 0.00 29 F 9.19 5.09 0.00 2.70 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 0.00 0.00 0.00 0.00 30 I 8.25 4.45 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.85 0.78 0.00 0.00 31 V 8.41 4.90 1.63 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 0.67 0.00 0.00 0.49 0.00 0.00 32 T 8.72 4.74 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 1.16 0.00 0.00 33 A 8.36 4.84 0.69 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 0.00 0.00 34 G 9.25 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.85 4.08 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 36 D 7.92 4.71 0.00 2.60 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 37 G 8.03 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 0.00 0.00 0.00 38 A 7.80 4.89 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 39 L 9.01 5.32 0.00 1.87 1.59 0.81 0.80 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 40 T 9.50 4.95 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 41 G 7.24 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 42 T 7.67 5.15 4.39 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 1.22 0.00 0.00 43 Y 9.45 5.16 0.00 3.03 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 44 E 8.97 5.98 0.00 1.94 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 2.28 2.13 0.00 45 S 8.68 4.71 0.00 3.81 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 *49 N 8.11 4.41 0.00 2.90 2.99 0.00 0.00 6.15 7.17 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 50 A 8.68 4.03 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 51 E 8.20 3.97 0.00 2.09 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 2.37 2.24 0.00 52 S 8.29 4.94 0.00 4.13 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 0.00 53 R 8.00 5.17 0.00 2.04 1.84 0.00 3.41 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 54 Y 9.06 4.94 0.00 2.97 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 55 V 8.58 4.45 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 0.80 0.00 0.00 0.95 0.00 0.00 56 L 8.90 5.19 0.00 1.79 1.71 0.54 0.66 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 57 T 8.35 4.91 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 1.24 0.00 0.00 58 G 8.18 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 6.03 0.00 1.78 1.78 0.00 3.31 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 60 Y 8.12 5.31 0.00 2.95 2.86 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 0.00 0.00 0.00 0.00 61 D 9.12 4.36 0.00 2.82 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 62 S 8.19 4.41 0.00 3.92 3.49 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 63 A 8.43 4.66 1.21 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 0.00 0.00 64 P 0.00 4.86 0.00 2.27 2.18 0.00 3.45 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 A 8.35 4.22 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 66 T 8.37 4.55 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 1.24 0.00 0.00 67 D 8.05 4.61 0.00 2.80 2.82 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 68 G 8.25 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 69 S 8.10 4.33 0.00 3.97 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 70 G 8.32 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 71 T 9.11 4.82 4.52 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 1.45 0.00 0.00 72 A 8.72 4.92 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 73 L 8.99 4.99 0.00 2.04 2.03 1.16 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.16 4.69 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 0.00 0.00 0.00 75 W 8.76 5.94 0.00 3.49 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 9.21 5.25 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 1.21 0.00 0.00 77 V 8.64 4.51 1.52 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 -0.17 0.00 0.00 0.86 0.00 0.00 78 A 8.32 4.39 1.16 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 0.00 0.00 79 W 8.26 4.20 0.00 3.33 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 80 K 7.79 5.29 0.00 1.97 1.71 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.45 7.81 81 N 9.38 5.02 0.00 2.70 2.57 0.00 0.00 6.67 7.22 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 82 N 8.58 4.11 0.00 1.87 2.27 0.00 0.00 6.63 7.46 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 83 Y 7.94 4.70 0.00 3.11 3.01 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 84 R 7.72 4.71 0.00 2.05 1.98 0.00 3.28 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 85 N 8.52 5.21 0.00 2.63 2.61 0.00 0.00 6.97 7.96 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 86 A 8.93 4.27 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 H 8.89 4.19 0.00 3.35 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.59 5.08 0.00 4.02 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 89 A 9.08 4.98 1.15 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 90 T 8.61 5.02 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 -0.33 0.00 0.00 91 T 8.53 4.90 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 1.14 0.00 0.00 92 W 8.77 4.90 0.00 1.78 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.95 0.00 3.83 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 94 G 8.77 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.35 5.31 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.23 4.98 0.00 3.02 2.90 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 97 V 8.19 4.31 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 0.80 0.00 0.00 0.91 0.00 0.00 98 G 8.52 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 99 G 8.18 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 0.00 100 A 8.97 4.00 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 0.00 101 E 7.88 4.47 0.00 1.95 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 2.27 2.36 0.00 102 A 8.55 4.47 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.32 5.27 0.00 2.20 2.17 0.00 2.88 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 104 I 8.68 4.95 1.81 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.00 1.08 0.00 0.00 105 N 8.92 5.37 0.00 2.76 2.82 0.00 0.00 6.07 6.33 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 0.00 106 T 9.47 5.32 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 107 Q 8.80 5.27 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 108 W 8.57 5.48 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 0.00 109 L 8.86 5.24 0.00 1.50 1.52 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.21 5.13 0.00 1.68 1.72 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.77 5.04 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 1.19 0.00 0.00 112 S 8.62 5.12 0.00 3.70 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 0.00 113 G 8.66 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.34 4.75 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 1.17 0.00 0.00 115 T 8.01 4.14 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 0.00 116 E 8.60 4.05 0.00 2.11 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 0.00 2.41 2.38 0.00 117 A 8.03 4.11 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 0.00 118 N 7.89 4.63 0.00 2.76 2.63 0.00 0.00 6.74 8.75 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 0.00 119 A 7.97 4.11 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 0.00 120 W 8.30 4.40 0.00 3.55 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 0.00 121 K 6.60 4.23 0.00 1.25 0.74 0.00 1.21 0.00 0.00 1.26 0.00 0.00 2.58 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.74 7.81 122 S 7.87 4.33 0.00 4.13 4.05 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 0.00 0.00 0.00 123 T 7.50 5.11 4.21 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 1.18 0.00 0.00 124 L 8.89 4.73 0.00 1.83 1.70 0.98 0.54 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 0.00 125 V 7.73 4.23 1.86 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 0.53 0.00 0.00 0.65 0.00 0.00 126 G 6.48 3.28 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 0.00 127 H 8.20 5.45 0.00 3.26 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.29 5.08 0.00 3.19 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 0.00 129 T 10.46 5.26 4.30 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 1.38 0.00 0.00 130 F 9.59 5.50 0.00 3.14 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 0.00 131 T 9.49 5.56 4.41 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 1.43 0.00 0.00 132 K 8.83 3.95 0.00 1.56 1.61 0.00 1.36 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.62 7.81 133 V 7.74 3.92 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 0.74 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.