NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 4.6457 8.3549 108.0571 46.6635 0.0000 172.7460 8 R 4.4989 8.4096 124.2663 53.3610 34.7025 169.4795 9 V 4.4095 8.0942 121.7136 61.5718 33.4133 174.7825 10 T 4.8567 8.2672 116.8561 58.9784 72.0160 174.5187 11 N 4.3980 8.5845 120.0009 56.1545 37.0554 177.4956 12 Q 4.0916 8.0158 120.0441 58.5915 28.9482 178.2076 13 L 4.0950 7.9550 119.9645 57.9160 41.5937 179.4723 14 Q 4.0923 8.3371 118.0711 59.0999 28.6530 178.3554 15 Y 4.0312 8.1655 120.5112 60.7886 38.6756 177.9846 16 L 4.0582 8.2762 119.0513 58.0434 41.7415 178.9110 17 H 4.4657 8.3016 117.4287 59.2189 30.0794 177.0052 18 K 4.1306 8.2303 118.8812 57.5043 32.4000 178.3651 19 V 4.0148 7.2179 116.8954 64.4627 32.5457 177.4125 20 V 3.7159 7.0299 115.6144 63.4933 30.9358 177.1669 *22 K 4.2130 8.1429 120.8231 56.2442 33.7265 177.5994 23 A 4.0939 7.8026 119.1752 55.3126 18.6529 179.3195 24 L 4.1982 8.0086 117.3352 57.7170 41.5061 179.4488 25 W 4.1384 8.4171 126.7648 60.4206 30.7896 177.3389 26 K 4.3805 7.8809 115.1289 56.7557 32.3973 176.9458 27 H 4.2805 7.7048 120.6768 55.7116 30.3402 176.1083 28 Q 4.1288 8.2247 123.3389 58.5066 28.5455 176.8652 29 F 5.1454 8.2764 115.3035 57.5968 39.8475 176.4843 30 A 4.2980 8.4554 125.7143 54.4750 18.8699 179.7214 31 W 4.4184 8.5779 113.2066 59.4550 27.8163 176.2543 32 P 3.9601 0.0000 0.0000 63.5156 30.7076 176.5585 33 F 4.5767 7.9075 115.7977 57.2623 39.9114 176.8035 34 R 3.5917 7.2949 118.7776 57.5948 30.0408 176.2139 35 Q 4.6851 7.3641 113.9479 53.2145 31.7457 172.5786 36 P 4.1104 0.0000 0.0000 62.6803 31.8202 176.6664 37 V 3.1277 8.1176 121.2990 63.3315 31.6176 175.0374 38 D 4.5212 8.2786 126.6886 52.4521 40.8755 176.3545 39 A 3.8350 8.3687 131.0773 55.1210 19.1172 179.5787 40 V 3.5319 7.8310 115.2976 65.9198 32.0274 177.5744 41 K 3.7840 8.2439 120.0717 59.4303 31.8977 177.4723 42 L 4.2345 7.5786 115.4271 54.3933 42.2979 176.1258 43 G 3.7300 7.8784 105.8622 47.0491 0.0000 174.9496 44 L 4.8986 7.8980 116.6205 52.3208 42.0752 176.4650 45 P 4.4507 0.0000 0.0000 64.5863 32.4010 177.6983 46 D 4.7290 8.0537 117.9709 53.7942 40.2971 177.5620 47 Y 3.3683 8.1525 122.3534 61.2403 38.5913 177.1434 48 H 4.4162 8.0433 113.6727 57.4498 28.9661 176.9634 49 K 4.1816 7.6688 119.7516 58.2430 32.1215 178.2275 50 I 4.3406 7.5359 118.3484 61.1467 38.1482 175.4980 51 I 4.1352 7.1556 121.2526 59.6183 37.3044 175.5371 52 K 4.2668 8.4568 125.1771 57.1049 32.8249 177.1811 53 Q 4.4498 7.5172 118.9659 52.7644 28.6271 172.3533 54 P 4.5130 0.0000 0.0000 61.9992 33.7866 177.5806 *56 D 4.4813 7.9743 117.9977 53.4371 40.2353 177.7894 *58 G 4.1422 8.7194 103.6629 45.9070 0.0000 174.4688 59 T 3.7837 8.2416 117.7458 66.0861 68.3193 176.9415 60 I 3.6908 7.5273 121.2554 64.1016 37.0999 178.2211 61 K 3.8094 8.0378 119.9101 59.5795 32.0833 178.3024 62 R 3.9418 8.0295 118.7906 59.7476 29.9815 178.4506 63 R 3.7326 8.1103 117.8920 59.3885 29.7216 179.0752 64 L 4.2329 7.8913 117.7859 57.7957 41.6693 179.0220 65 E 4.2227 7.9279 117.6169 58.3297 29.4746 177.7910 66 N 4.7878 7.9242 114.7073 51.8074 39.4642 174.4987 67 N 4.2566 8.2282 116.3955 54.5320 36.4641 176.0219 68 Y 3.9308 8.0833 119.9991 60.4053 39.2339 175.4509 69 Y 4.6798 7.7495 117.1865 57.4600 38.9003 175.9716 70 W 4.2947 9.3811 133.5061 58.9223 31.6044 176.1473 71 A 4.8006 8.0065 118.6026 49.9599 22.2193 176.3682 72 A 4.0748 8.7371 122.8619 55.2265 18.7717 180.5398 73 S 4.2537 8.1384 109.5338 61.4871 63.3210 175.5367 74 E 4.1989 8.2930 120.4588 59.4930 29.6331 179.2058 75 C 3.3085 7.4609 117.6435 59.2794 30.9829 174.9935 *77 Q 4.3801 8.2466 120.7202 55.8186 30.4373 176.7182 78 D 4.3521 7.9491 116.4360 57.3301 40.8590 178.2475 79 F 3.7936 7.6905 116.6490 60.5229 39.1945 176.9733 80 N 4.6979 8.2125 115.8153 56.9706 38.8699 177.5960 81 T 3.9864 8.0014 115.9635 64.1722 69.0704 176.0438 *83 F 4.5732 8.0348 121.0393 57.9780 41.1675 177.5938 84 T 4.0315 8.6235 117.3563 66.8174 68.1000 176.0609 85 N 4.2757 8.6169 118.6952 56.7353 38.7261 176.9511 86 C 4.1995 7.9090 119.1423 62.8137 31.6017 175.0937 87 Y 4.4264 7.4740 118.3160 61.0518 37.2054 178.5848 88 I 3.8187 7.8939 120.0303 64.5040 37.3694 177.6799 89 Y 4.1287 8.0709 119.0557 60.0109 39.1021 175.9712 90 N 4.3666 7.3284 115.3293 52.4373 39.7056 175.3644 91 K 4.1265 8.2302 119.6883 55.7805 32.6780 176.8516 92 P 4.2924 0.0000 0.0000 65.4785 31.3128 177.4178 93 T 4.3390 7.6455 105.4098 61.6174 69.6537 174.6490 94 D 4.5325 7.8376 123.8524 54.0939 41.7533 176.9812 95 D 4.3416 8.8522 123.1280 57.5219 41.0800 178.8319 96 I 3.5959 7.6879 117.8450 63.8228 38.5240 177.0914 97 V 3.9496 7.8821 120.1867 66.1174 31.6162 179.0441 98 L 4.0483 7.4613 116.4747 55.4000 41.3274 179.0288 *100 A 4.2067 8.1850 123.0411 52.4697 20.5739 179.9481 101 Q 4.1985 8.2851 116.1202 58.8156 28.5436 179.3424 102 T 3.9043 8.0711 116.6089 66.7135 68.5832 176.7018 103 L 3.9420 7.8806 120.3540 57.8600 41.7099 179.1347 104 E 3.1405 8.0937 119.5489 58.6215 29.3371 179.0050 105 K 3.9291 7.9930 118.7236 59.3563 32.1210 179.1315 106 I 3.6641 7.4710 119.8911 64.4444 36.9926 177.9264 107 F 4.0703 8.2647 121.2605 61.5575 39.1331 177.2774 108 L 3.5650 7.9243 118.2192 57.5596 41.1800 179.1864 109 Q 3.9250 7.8015 116.9614 59.2964 28.9790 179.3142 110 K 4.1752 8.5346 119.4099 59.3187 31.8333 179.6915 111 V 3.5656 7.6432 117.9822 65.7761 31.3923 177.6536 112 A 4.1642 7.7762 119.8152 53.1913 18.1893 177.3491 113 S 4.3763 7.2191 113.7846 56.1821 63.7943 172.0366 *115 P 3.9714 0.0000 0.0000 62.8422 31.9677 176.2541 116 Q 4.4376 8.4385 118.9678 55.8190 29.0505 176.6022 117 E 4.1961 7.7779 119.7073 54.9030 27.7778 174.9026 118 E 4.1863 8.1320 122.1209 56.1423 28.3142 175.2022 119 Q 4.5458 7.8242 121.1680 53.3283 31.9068 175.4024 120 E 4.6992 8.5918 119.5319 57.4394 30.4282 176.7897 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 7 G 8.35 4.65 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 0.00 0.00 0.00 8 R 8.41 4.50 0.00 1.34 1.51 0.00 2.21 0.00 0.00 2.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.75 0.00 9 V 8.09 4.41 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 0.95 0.00 0.00 10 T 8.27 4.86 4.20 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 1.08 0.00 0.00 11 N 8.58 4.40 0.00 3.00 3.12 0.00 0.00 7.41 7.18 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 12 Q 8.02 4.09 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 13 L 7.96 4.10 0.00 1.92 1.82 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.34 4.09 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 15 Y 8.17 4.03 0.00 3.17 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 16 L 8.28 4.06 0.00 1.91 1.94 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.30 4.47 0.00 3.28 3.51 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.23 4.13 0.00 1.91 1.79 0.00 1.36 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.34 7.81 19 V 7.22 4.01 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 0.72 0.00 0.00 0.83 0.00 0.00 20 V 7.03 3.72 2.17 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 0.74 0.00 0.00 0.68 0.00 0.00 *22 K 8.14 4.21 0.00 1.90 1.87 0.00 1.92 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 23 A 7.80 4.09 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 24 L 8.01 4.20 0.00 1.99 1.90 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.42 4.14 0.00 3.53 3.32 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 26 K 7.88 4.38 0.00 1.90 1.93 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.61 1.73 7.81 27 H 7.70 4.28 0.00 3.45 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.22 4.13 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 29 F 8.28 5.15 0.00 3.13 3.09 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 30 A 8.46 4.30 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 31 W 8.58 4.42 0.00 3.53 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 32 P 0.00 3.96 0.00 0.76 1.15 0.00 3.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.44 0.00 33 F 7.91 4.58 0.00 2.92 2.87 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 0.00 0.00 0.00 34 R 7.29 3.59 0.00 1.65 1.37 0.00 2.80 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 35 Q 7.36 4.69 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 36 P 0.00 4.11 0.00 2.01 2.02 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 37 V 8.12 3.13 1.49 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 -0.42 0.00 0.00 0.53 0.00 0.00 38 D 8.28 4.52 0.00 2.63 2.47 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 39 A 8.37 3.83 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 40 V 7.83 3.53 2.18 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 0.94 0.00 0.00 0.92 0.00 0.00 41 K 8.24 3.78 0.00 2.02 1.82 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 42 L 7.58 4.23 0.00 1.63 1.64 0.75 1.07 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 43 G 7.88 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 0.00 0.00 0.00 44 L 7.90 4.90 0.00 1.84 1.58 1.05 0.64 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 45 P 0.00 4.45 0.00 2.21 2.20 0.00 3.82 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 2.02 1.98 0.00 46 D 8.05 4.73 0.00 2.93 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 47 Y 8.15 3.37 0.00 2.68 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 48 H 8.04 4.42 0.00 3.20 3.34 0.00 5.75 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.67 4.18 0.00 1.82 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 50 I 7.54 4.34 1.91 0.00 0.00 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 1.67 0.56 0.96 0.00 0.00 51 I 7.16 4.14 1.02 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 0.69 0.11 0.80 0.00 0.00 52 K 8.46 4.27 0.00 1.72 1.85 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.34 7.81 53 Q 7.52 4.45 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.02 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 54 P 0.00 4.51 0.00 2.12 2.11 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 *56 D 7.97 4.48 0.00 3.03 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 *58 G 8.72 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 59 T 8.24 3.78 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 1.07 0.00 0.00 60 I 7.53 3.69 1.57 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.56 0.00 0.00 61 K 8.04 3.81 0.00 1.79 1.90 0.00 1.33 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.34 7.81 62 R 8.03 3.94 0.00 1.87 1.91 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 63 R 8.11 3.73 0.00 1.80 1.16 0.00 2.88 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.26 0.00 64 L 7.89 4.23 0.00 1.72 1.69 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.93 4.22 0.00 2.06 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 2.37 2.37 0.00 66 N 7.92 4.79 0.00 2.69 2.83 0.00 0.00 7.13 7.30 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 67 N 8.23 4.26 0.00 2.89 2.87 0.00 0.00 6.69 7.48 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 68 Y 8.08 3.93 0.00 2.78 2.80 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 0.00 0.00 0.00 69 Y 7.75 4.68 0.00 3.22 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 70 W 9.38 4.29 0.00 3.36 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 71 A 8.01 4.80 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 4.07 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 73 S 8.14 4.25 0.00 4.05 4.07 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 74 E 8.29 4.20 0.00 2.40 2.35 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 2.46 2.39 0.00 75 C 7.46 3.31 0.00 1.49 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 *77 Q 8.25 4.38 0.00 2.59 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 78 D 7.95 4.35 0.00 2.84 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 79 F 7.69 3.79 0.00 2.73 2.22 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 0.00 0.00 0.00 0.00 80 N 8.21 4.70 0.00 3.01 3.09 0.00 0.00 7.13 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 81 T 8.00 3.99 4.35 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 1.24 0.00 0.00 *83 F 8.03 4.57 0.00 3.22 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 84 T 8.62 4.03 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 1.32 0.00 0.00 85 N 8.62 4.28 0.00 2.69 2.93 0.00 0.00 6.70 7.70 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 86 C 7.91 4.20 0.00 3.09 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 87 Y 7.47 4.43 0.00 3.16 2.95 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 88 I 7.89 3.82 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.94 0.00 0.00 89 Y 8.07 4.13 0.00 2.83 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 90 N 7.33 4.37 0.00 2.99 2.90 0.00 0.00 7.17 6.97 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 91 K 8.23 4.13 0.00 2.02 1.69 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.32 7.81 92 P 0.00 4.29 0.00 2.02 2.12 0.00 3.64 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 2.02 2.08 0.00 93 T 7.65 4.34 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 1.20 0.00 0.00 94 D 7.84 4.53 0.00 2.88 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 95 D 8.85 4.34 0.00 2.65 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 96 I 7.69 3.60 1.70 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 0.90 0.00 0.00 97 V 7.88 3.95 2.31 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 1.03 0.00 0.00 1.07 0.00 0.00 98 L 7.46 4.05 0.00 1.87 1.64 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 *100 A 8.18 4.21 1.50 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 0.00 0.00 101 Q 8.29 4.20 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.75 0.00 102 T 8.07 3.90 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 1.37 0.00 0.00 103 L 7.88 3.94 0.00 1.86 1.83 0.68 0.77 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 0.00 104 E 8.09 3.14 0.00 1.16 1.51 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 2.14 2.02 0.00 105 K 7.99 3.93 0.00 1.95 1.82 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.72 7.81 106 I 7.47 3.66 2.05 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 1.42 0.65 0.94 0.00 0.00 107 F 8.26 4.07 0.00 3.11 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 0.00 108 L 7.92 3.56 0.00 1.81 1.60 0.92 0.68 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 0.00 109 Q 7.80 3.92 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 110 K 8.53 4.18 0.00 1.61 1.81 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.52 7.81 111 V 7.64 3.57 1.67 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 0.64 0.00 0.00 0.30 0.00 0.00 112 A 7.78 4.16 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 0.00 113 S 7.22 4.38 0.00 3.96 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 *115 P 0.00 3.97 0.00 2.09 1.95 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 116 Q 8.44 4.44 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.43 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 117 E 7.78 4.20 0.00 1.93 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 2.26 0.00 118 E 8.13 4.19 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 119 Q 7.82 4.55 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.50 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 120 E 8.59 4.70 0.00 1.97 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 2.03 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.