NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 5.0841 8.2076 120.4843 54.9014 43.0822 173.8062 2 S 4.7268 8.9264 114.7718 56.4882 66.6727 167.7805 3 V 4.9657 9.1380 121.5840 61.5827 34.9048 176.1232 4 T 4.7951 8.9336 123.1619 62.0848 72.2873 172.9695 5 Q 5.8277 8.5925 123.1941 53.0032 32.5621 174.5796 6 T 4.0479 8.8306 115.6198 64.1173 68.6484 174.4533 7 E 4.3437 8.8506 124.6974 56.7289 32.1108 179.1677 8 G 4.0514 8.4531 109.2782 46.0471 0.0000 175.2607 9 Q 5.1047 8.5485 123.3012 53.9671 32.5844 173.6586 10 V 4.3290 8.6562 122.6552 61.4326 34.6830 173.9017 11 A 5.1630 8.7345 130.7483 50.5838 20.4273 175.3866 12 L 4.7952 8.7124 121.6645 53.6663 46.0223 175.7621 13 S 5.2194 8.5671 115.2212 56.4714 65.9376 174.1553 14 E 4.4094 8.4384 120.7266 58.1446 30.0947 178.8083 15 E 3.8468 9.4756 120.4462 56.8018 28.7507 174.6685 16 D 4.6857 7.6588 118.7727 54.1546 42.5368 174.6792 17 F 4.9607 8.6115 122.3510 56.8776 40.6979 174.4115 18 L 4.7144 8.5421 128.4877 53.8501 44.4222 175.4988 19 T 4.9327 8.3033 121.5012 62.5187 72.1763 173.0055 20 I 4.4672 8.6691 128.4483 59.6762 40.0152 175.1890 21 H 5.0839 8.7805 123.7362 55.7330 30.8620 173.8460 22 C 5.4504 8.9676 119.7683 56.0755 46.3799 172.3205 23 N 5.8847 9.5413 123.5760 51.7958 42.4390 172.7492 24 Y 5.2397 8.4847 118.7551 55.9259 42.2333 174.6021 25 S 4.4675 9.0984 113.6641 57.3763 65.2132 172.4416 26 A 5.5913 8.5419 127.5076 51.0771 22.0685 175.1801 27 S 4.5646 8.9374 114.5486 57.7947 64.7915 175.5640 28 G 3.9671 8.7049 109.6465 45.4898 0.0000 173.8377 29 Y 4.9844 8.1962 113.7876 54.6363 38.6470 173.8060 30 P 4.7424 0.0000 0.0000 62.5552 32.8341 176.5077 31 A 4.6036 8.7707 122.6062 50.9901 21.0714 176.2196 32 L 4.6170 8.0791 118.9855 52.7442 45.1956 175.9190 33 F 5.5658 8.6486 120.1482 54.6212 44.1718 173.7835 34 W 5.1777 8.2260 118.0033 55.8464 33.2079 174.0344 35 Y 5.1444 9.2952 121.8800 56.1477 41.5730 174.7189 36 V 4.1364 8.8882 121.7415 61.1757 34.8334 174.4663 37 Q 4.5774 8.1457 126.9921 54.0825 30.4175 173.7131 38 Y 4.4164 7.8424 122.4885 56.4816 39.7346 173.5678 39 P 4.2832 0.0000 0.0000 64.7383 31.6912 176.7611 40 G 3.9227 9.6357 110.9833 45.5841 0.0000 171.8785 41 E 4.6860 7.8704 117.8781 54.6093 33.5886 174.6088 42 G 4.1255 8.2420 106.8768 44.1071 0.0000 171.9511 43 P 4.9352 0.0000 0.0000 62.7582 32.1235 176.2745 44 Q 4.7835 9.4299 121.3995 53.8315 32.0382 174.4138 45 F 2.9098 8.8375 124.1498 59.1811 39.2799 173.5102 46 L 4.4084 7.3995 128.2518 55.7162 42.7415 175.9274 47 F 4.7007 6.2080 110.7094 56.2250 40.9194 171.7502 48 R 4.8864 8.9401 118.1457 54.5925 33.5612 173.7960 49 A 5.3855 9.0962 125.7771 49.3942 21.4414 176.8902 50 S 4.3088 9.0386 117.3681 58.4466 64.6943 174.6588 51 R 4.1400 7.4021 118.9793 53.3121 32.8121 174.4140 52 D 4.1118 8.6703 120.7825 55.7651 41.3456 176.9445 53 K 4.2756 9.5501 126.1653 56.0027 31.1490 176.0696 54 E 4.1564 8.2788 121.7030 55.8634 30.8232 175.3346 55 K 4.7979 8.7096 128.7206 54.8008 32.9937 175.9504 56 G 4.0681 9.1167 116.0965 46.4352 0.0000 171.3912 57 S 4.2684 7.7034 112.6490 57.5566 65.5260 174.6084 58 S 4.4946 9.3596 114.3118 58.9375 65.6308 175.3463 59 R 4.0560 9.9713 125.1083 57.3707 27.3317 177.3754 60 G 3.8153 8.6451 105.1724 45.1001 0.0000 174.0316 61 F 4.8373 8.1172 119.1414 56.4705 41.4498 174.6746 62 E 4.4447 8.4259 117.3735 55.7303 33.1608 173.9068 63 A 4.9350 8.3656 121.7514 50.8298 23.1356 175.0845 64 T 4.9958 8.3245 117.8033 61.7259 70.8280 173.6836 65 Y 4.3846 9.4652 128.4295 58.1600 39.9777 174.1948 66 N 5.2509 9.1566 127.0093 51.9928 40.3174 174.8785 67 K 4.4131 9.6271 129.0217 58.4666 32.9616 178.8774 68 E 3.9271 8.5592 117.5544 58.7181 29.4953 177.2704 69 A 4.4557 8.1622 118.5453 51.3105 19.7958 176.5906 70 T 3.2648 7.1658 106.7763 62.8281 68.5273 171.5361 71 S 5.3675 8.0933 114.6744 57.1265 67.1007 174.1205 72 F 5.7151 8.8567 121.2772 57.6419 37.9121 174.3849 73 H 4.8384 8.0357 118.2183 56.1056 30.5908 175.9805 74 L 4.5783 8.8632 124.8769 53.9404 43.7321 175.2444 75 Q 5.2108 8.3779 122.4866 53.9996 34.0923 174.0079 76 K 4.0134 7.3888 121.1980 55.1889 34.7719 176.4249 77 A 3.2377 8.3029 131.3571 54.7162 18.5083 177.0226 78 S 4.7734 7.1818 110.1836 57.0864 64.6324 174.5915 79 V 4.0006 9.0256 126.8475 61.4492 32.9801 175.2561 80 Q 4.7616 8.6547 119.2883 54.6110 32.1366 175.9326 81 E 3.8216 8.7558 120.6673 59.6694 29.7246 179.4890 82 S 4.4317 8.8446 109.8453 59.8293 62.7259 174.1970 83 D 4.9581 8.4359 120.5997 54.7263 41.1893 176.4267 84 S 4.9989 8.6109 116.3832 59.3504 63.4250 173.4691 85 A 4.3315 8.1695 125.5341 51.8189 22.9671 173.7931 86 V 4.7314 7.4488 117.2380 61.5981 33.8311 174.5134 87 Y 4.9767 8.7664 125.4561 56.4772 40.5771 174.2935 88 Y 5.2931 8.9828 120.7574 56.4144 41.8471 173.7564 89 C 3.7375 9.0391 123.0142 54.7432 46.4602 172.2167 90 A 5.3625 7.7994 125.3857 49.8805 23.1323 174.2901 91 L 4.9208 7.7146 118.8451 53.8680 46.0797 174.3161 92 S 4.7114 8.7275 119.2361 56.5140 65.1807 171.3236 93 G 3.5430 8.5111 117.1719 47.9148 0.0000 173.4035 *96 G 4.2014 9.3779 112.1124 44.6292 0.0000 172.0767 97 N 4.8958 7.8523 118.1144 51.4643 37.9576 175.5180 98 N 4.4292 8.3261 114.1192 54.3720 39.0040 173.2422 99 K 4.5530 7.5575 114.7781 55.3954 35.0142 175.0389 100 L 4.2302 8.1608 122.7462 54.7704 43.1432 175.6570 101 T 4.4994 8.3860 123.3145 62.1535 70.1568 173.9194 102 F 4.9176 8.8707 124.9450 55.9079 41.7996 175.9735 103 G 4.1777 8.2956 108.2783 45.1498 0.0000 173.3846 104 A 4.3089 8.8066 121.5051 53.0205 18.8955 178.5378 105 G 3.7082 8.6772 102.6500 46.0379 0.0000 172.6749 106 T 4.7276 8.3990 118.1671 61.2487 72.0189 173.2315 107 K 4.4298 9.0203 128.5013 55.6355 33.4123 175.3501 108 L 4.8355 9.2615 132.1223 54.1257 43.5701 174.9838 109 T 4.7904 8.7033 122.4706 60.4965 69.3707 172.8127 110 I 5.1957 8.2420 129.7920 59.6497 39.4236 175.4789 111 K 4.7749 8.7640 124.3279 54.3663 36.0791 174.6846 112 P 4.8115 0.0000 0.0000 62.4350 31.5926 175.8193 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 D 8.21 5.08 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 2 S 8.93 4.73 0.00 3.87 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 3 V 9.14 4.97 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 0.86 0.00 0.00 0.85 0.00 0.00 4 T 8.93 4.80 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 1.26 0.00 0.00 5 Q 8.59 5.83 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 6 T 8.83 4.05 4.34 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 1.27 0.00 0.00 7 E 8.85 4.34 0.00 2.11 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 2.30 2.33 0.00 8 G 8.45 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 9 Q 8.55 5.10 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.38 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 10 V 8.66 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 0.89 0.00 0.00 0.95 0.00 0.00 11 A 8.73 5.16 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 12 L 8.71 4.80 0.00 1.63 1.57 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.57 5.22 0.00 3.95 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 14 E 8.44 4.41 0.00 1.95 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 2.34 2.48 0.00 15 E 9.48 3.85 0.00 2.08 2.12 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 2.21 2.40 0.00 16 D 7.66 4.69 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 4.96 0.00 3.02 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 18 L 8.54 4.71 0.00 1.57 1.28 0.77 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.30 4.93 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 1.08 0.00 0.00 20 I 8.67 4.47 1.47 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.48 1.11 0.00 0.00 21 H 8.78 5.08 0.00 3.25 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.97 5.45 0.00 3.29 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 9.54 5.88 0.00 2.78 2.65 0.00 0.00 6.07 8.04 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 24 Y 8.48 5.24 0.00 2.96 2.84 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 25 S 9.10 4.47 0.00 3.86 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 26 A 8.54 5.59 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 27 S 8.94 4.56 0.00 3.86 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 28 G 8.70 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 29 Y 8.20 4.98 0.00 2.85 2.75 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 30 P 0.00 4.74 0.00 2.00 2.07 0.00 4.17 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 31 A 8.77 4.60 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 32 L 8.08 4.62 0.00 0.27 0.13 -0.79 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.65 5.57 0.00 2.84 3.05 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 34 W 8.23 5.18 0.00 2.05 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 35 Y 9.30 5.14 0.00 3.05 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 36 V 8.89 4.14 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 -0.43 0.00 0.00 0.65 0.00 0.00 37 Q 8.15 4.58 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 38 Y 7.84 4.42 0.00 3.29 2.85 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 39 P 0.00 4.28 0.00 2.08 2.06 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 40 G 9.64 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 41 E 7.87 4.69 0.00 1.95 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 2.48 0.00 42 G 8.24 4.13 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 0.00 0.00 0.00 43 P 0.00 4.94 0.00 1.95 2.03 0.00 3.52 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 1.49 1.88 0.00 44 Q 9.43 4.78 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 45 F 8.84 2.91 0.00 2.66 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 46 L 7.40 4.41 0.00 1.41 1.34 0.83 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 F 6.21 4.70 0.00 3.13 3.10 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 48 R 8.94 4.89 0.00 2.01 1.98 0.00 3.24 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.00 49 A 9.10 5.39 1.59 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 0.00 0.00 50 S 9.04 4.31 0.00 3.74 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 51 R 7.40 4.14 0.00 1.73 1.72 0.00 3.01 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.23 0.00 52 D 8.67 4.11 0.00 2.48 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.55 4.28 0.00 1.93 2.15 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.42 7.81 54 E 8.28 4.16 0.00 2.06 2.02 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 2.39 2.29 0.00 55 K 8.71 4.80 0.00 1.82 1.73 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.36 7.81 56 G 9.12 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 0.00 0.00 0.00 57 S 7.70 4.27 0.00 3.70 3.45 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 58 S 9.36 4.49 0.00 4.06 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 59 R 9.97 4.06 0.00 2.41 2.23 0.00 3.47 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 60 G 8.65 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 0.00 0.00 0.00 61 F 8.12 4.84 0.00 3.47 3.18 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 62 E 8.43 4.44 0.00 1.81 1.75 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 2.02 2.11 0.00 63 A 8.37 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.32 5.00 4.34 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 1.36 0.00 0.00 65 Y 9.47 4.38 0.00 3.29 3.04 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 66 N 9.16 5.25 0.00 2.95 2.92 0.00 0.00 6.48 6.29 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 67 K 9.63 4.41 0.00 2.24 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.67 7.81 68 E 8.56 3.93 0.00 2.17 2.02 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 2.33 2.32 0.00 69 A 8.16 4.46 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 70 T 7.17 3.26 3.22 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 1.00 0.00 0.00 71 S 8.09 5.37 0.00 4.09 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 72 F 8.86 5.72 0.00 2.81 3.04 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 73 H 8.04 4.84 0.00 3.16 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.86 4.58 0.00 0.28 0.77 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.38 5.21 0.00 1.90 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.47 0.00 0.00 0.00 0.00 0.00 2.46 2.11 0.00 76 K 7.39 4.01 0.00 0.90 1.00 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.50 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.87 0.91 7.81 77 A 8.30 3.24 1.17 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 0.00 0.00 78 S 7.18 4.77 0.00 3.76 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 79 V 9.03 4.00 1.93 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 0.76 0.00 0.00 0.94 0.00 0.00 80 Q 8.65 4.76 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 81 E 8.76 3.82 0.00 2.15 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 2.33 2.38 0.00 82 S 8.84 4.43 0.00 3.96 3.98 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 0.00 0.00 0.00 83 D 8.44 4.96 0.00 2.94 3.07 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 84 S 8.61 5.00 0.00 3.84 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 85 A 8.17 4.33 0.92 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 86 V 7.45 4.73 1.89 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 0.41 0.00 0.00 0.86 0.00 0.00 87 Y 8.77 4.98 0.00 3.09 3.10 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 88 Y 8.98 5.29 0.00 3.06 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 89 C 9.04 3.74 0.00 1.76 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 90 A 7.80 5.36 0.39 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 91 L 7.71 4.92 0.00 1.39 1.25 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.73 4.71 0.00 3.90 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 93 G 8.51 3.54 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 0.00 0.00 0.00 *96 G 9.38 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 0.00 0.00 0.00 0.00 97 N 7.85 4.90 0.00 2.77 2.81 0.00 0.00 5.99 8.04 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 98 N 8.33 4.43 0.00 2.89 3.01 0.00 0.00 6.89 7.50 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 99 K 7.56 4.55 0.00 1.84 1.73 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.35 7.81 100 L 8.16 4.23 0.00 1.45 1.42 0.17 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.39 4.50 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 1.18 0.00 0.00 102 F 8.87 4.92 0.00 2.64 2.75 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 0.00 103 G 8.30 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 0.00 104 A 8.81 4.31 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 0.00 105 G 8.68 3.71 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 0.00 0.00 0.00 106 T 8.40 4.73 4.34 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 1.25 0.00 0.00 107 K 9.02 4.43 0.00 1.80 1.72 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.53 7.81 108 L 9.26 4.84 0.00 1.76 1.90 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.70 4.79 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 1.33 0.00 0.00 110 I 8.24 5.20 1.91 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 1.35 1.22 0.91 0.00 0.00 111 K 8.76 4.77 0.00 1.80 1.86 0.00 1.31 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.36 7.81 112 P 0.00 4.81 0.00 2.20 2.16 0.00 3.41 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.