NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.3980 8.2916 119.0815 55.9990 30.0875 174.0338 10 F 4.0015 8.3943 121.1846 56.1852 39.4831 173.7092 11 I 4.0846 7.3864 131.1536 59.6233 37.4733 176.5184 12 V 3.5840 8.5258 126.8558 65.3487 30.9913 177.8986 13 D 4.4703 8.0791 118.9522 56.8185 40.6030 178.5597 14 D 4.1908 7.9664 119.3697 57.2745 40.8226 178.6655 15 V 3.3978 7.4456 118.1354 66.0813 31.4245 177.4001 16 S 4.0694 8.3609 113.0559 61.5922 62.0390 176.4250 17 K 3.9218 7.8549 120.4032 59.7466 31.7530 179.1760 18 T 3.8026 7.8246 115.8594 66.8354 68.3282 176.3481 19 I 3.6303 7.8191 121.3310 64.5535 37.1628 178.4845 20 K 3.8840 8.1152 119.0279 59.6680 31.7984 179.2841 21 E 3.8927 8.4391 118.5761 59.3409 29.3584 179.1703 22 A 3.9183 8.2537 121.1852 55.1545 18.3696 179.7467 23 I 3.2613 7.8185 118.4250 64.3965 37.1861 178.0212 24 E 3.8602 8.0671 120.0647 59.9190 29.1431 179.2340 25 T 3.8541 7.8988 114.9391 66.6203 68.5644 176.7272 26 T 4.0156 7.6331 117.0466 65.4274 69.0765 175.7015 27 I 3.5172 7.7025 111.2626 59.2427 38.6026 175.3513 28 G 3.9784 7.5290 110.9095 47.5779 0.0000 173.5633 29 G 3.9149 9.0557 111.7643 46.5933 0.0000 172.6080 30 N 4.9449 7.9455 116.1514 50.8816 41.2848 173.7842 31 A 4.8736 8.2302 120.9668 50.1220 21.6505 175.4865 32 Y 4.2602 8.8006 123.8621 58.4408 39.2370 176.6583 33 Q 4.0712 7.5744 120.0262 56.8800 29.5450 175.4067 34 H 3.8217 7.6392 124.3712 59.0307 31.2064 177.4145 35 D 4.3960 7.5282 117.6486 52.6291 39.2441 176.2588 36 K 4.0064 7.1057 118.7672 57.2558 40.1896 178.5763 37 V 3.4156 6.6490 117.3405 65.9888 31.4836 177.7166 38 N 4.4806 7.7308 116.3879 54.9699 38.5740 176.5538 39 N 4.4467 7.6001 118.4426 55.8539 39.1864 176.9043 40 W 4.4151 7.9965 120.8745 59.8526 29.3383 178.4301 41 T 4.0523 8.5072 110.4064 65.0182 67.9420 176.5585 42 G 3.7382 7.7689 107.5712 47.5645 0.0000 175.6647 43 Q 4.0401 8.0863 120.1254 58.6167 28.6827 179.1531 44 V 3.5473 7.9553 119.3540 65.9219 31.5739 178.2965 45 V 3.6022 7.7901 118.0809 65.9204 31.3729 177.6975 46 E 3.9089 8.5637 119.4778 59.3744 29.5457 177.7034 47 N 4.1683 8.6416 117.3250 57.0892 38.8834 176.1114 48 C 3.9312 8.2697 117.4838 63.0028 28.3702 176.3607 49 L 3.9071 7.9670 120.0197 58.2258 41.0441 179.6305 50 T 3.8279 8.0274 114.4358 66.6687 68.5560 176.5321 51 V 3.6597 7.7743 119.7679 66.1372 31.4293 178.1367 52 L 3.7347 7.6581 117.4591 57.3947 41.1065 178.7850 53 T 4.3184 7.9013 107.9743 62.2772 68.9683 176.7679 54 K 3.9389 7.5773 123.2690 59.8261 31.2698 177.7325 55 E 3.9893 8.2072 118.3895 57.9437 29.0120 178.6237 56 Q 3.7806 7.6766 113.2587 56.3414 26.8620 173.7815 57 K 4.2192 7.3164 117.4270 56.4896 32.7754 174.7402 58 P 4.7796 0.0000 0.0000 63.7420 31.0614 175.5399 59 Y 4.8968 8.1564 115.9212 56.1262 41.7700 175.7643 60 K 4.6676 8.9977 122.2327 55.4706 34.5480 175.2484 61 Y 5.5629 8.5807 119.5597 56.4375 41.8484 174.7891 62 I 4.7565 9.3950 124.0246 59.5586 40.5263 174.6888 63 V 5.1680 8.6758 126.1928 61.3185 34.3203 174.5417 64 T 4.9035 9.1677 117.0853 60.0180 72.1133 172.6845 65 A 5.3441 8.2679 124.0349 49.2759 23.0891 174.3743 *67 I 4.6504 8.0278 118.3642 61.5273 38.2918 175.1338 *69 Q 3.9264 8.2344 120.8453 55.5662 29.4193 174.7142 70 K 4.1230 8.8347 125.6143 56.8105 32.3313 176.9399 71 N 4.7369 8.8286 117.9983 53.8252 42.5396 174.5967 72 G 4.0207 8.4528 105.2967 45.9999 0.0000 174.1515 73 A 4.1591 7.6892 121.7633 52.0092 19.0588 177.0520 74 G 4.0219 8.3036 109.2591 44.3635 0.0000 173.2577 75 L 4.7278 7.8530 121.7418 53.2478 45.1227 175.4529 76 H 4.9426 8.7386 121.7509 54.1821 32.4299 172.6973 77 T 4.7583 8.2948 111.8699 60.0498 71.8529 172.8867 78 A 4.7345 8.2099 123.6697 51.2519 22.1300 175.8577 79 S 4.6309 8.0729 114.0967 57.5855 65.8039 173.1369 80 S 4.4081 7.8499 114.3593 58.3427 64.7502 173.6570 81 C 4.4186 7.7827 119.7217 58.1484 31.7812 173.4613 82 Y 4.5037 8.1461 122.0263 55.8868 39.1418 174.0373 83 W 4.7857 7.9036 124.7239 55.6845 30.4590 173.8853 84 N 4.4991 9.5476 119.1535 52.7004 37.0866 176.1720 85 N 4.3774 8.6215 122.0940 54.7329 38.6925 175.5871 86 D 4.7624 8.4025 118.1486 54.3564 42.4902 177.1809 87 T 4.5654 7.6603 106.8707 62.7588 70.7461 174.3212 88 D 4.5038 7.5599 120.3997 54.0183 41.8928 175.8154 89 G 3.6192 7.6324 106.7800 45.8202 0.0000 171.8393 90 S 4.9842 8.2228 113.3798 57.4550 66.3817 173.3164 91 C 4.7383 8.8480 120.3791 58.5215 34.9850 172.4602 92 T 5.0177 8.6361 122.6465 61.7153 70.8119 173.5269 93 V 4.4788 9.0923 126.3371 61.1485 34.2958 174.2352 94 R 5.2393 8.6703 126.2664 54.5893 32.0448 175.3701 95 W 5.4542 9.4115 132.5982 56.2815 34.7163 173.1662 96 E 5.1517 7.5784 121.2420 55.6176 31.8307 173.7779 97 N 4.5569 7.9757 117.3631 50.8457 40.6239 173.3601 98 K 3.8205 8.7322 118.2794 59.5160 32.1706 177.5739 99 T 4.4032 7.8127 106.1318 61.6963 69.3425 172.7820 *101 Y 5.1309 7.5004 118.8507 58.7982 39.9184 173.5813 102 C 5.2055 9.8587 122.0563 58.1073 35.6392 172.6474 103 I 5.1492 8.5818 125.7856 59.5539 40.8203 174.4323 104 V 4.7239 8.8685 125.9717 61.1402 34.7980 174.2227 105 S 5.2057 9.1523 121.8706 56.4921 66.6832 173.0563 106 V 5.0050 8.4820 121.3030 61.3175 34.6251 173.9183 107 F 5.3208 9.9121 127.1234 55.6331 41.9832 174.5402 108 G 4.4847 9.1146 111.3892 44.4249 0.0000 171.7593 109 L 5.2795 8.8789 126.1843 52.2770 44.6105 176.2149 110 A 2.9683 8.8453 126.4969 51.5458 19.0418 177.5120 111 V 3.6705 8.4733 121.0840 63.1207 31.2056 175.8617 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 9 Q 8.29 4.40 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 10 F 8.39 4.00 0.00 2.84 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 11 I 7.39 4.08 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.34 0.87 0.00 0.00 12 V 8.53 3.58 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 0.96 0.00 0.00 1.00 0.00 0.00 13 D 8.08 4.47 0.00 2.66 2.73 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 14 D 7.97 4.19 0.00 2.65 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 15 V 7.45 3.40 2.04 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 1.12 0.00 0.00 0.15 0.00 0.00 16 S 8.36 4.07 0.00 3.93 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 17 K 7.85 3.92 0.00 1.97 1.81 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.76 7.81 18 T 7.82 3.80 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 1.13 0.00 0.00 19 I 7.82 3.63 2.00 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 1.50 0.87 0.89 0.00 0.00 20 K 8.12 3.88 0.00 1.94 1.91 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.67 7.81 21 E 8.44 3.89 0.00 2.14 1.95 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 2.31 2.50 0.00 22 A 8.25 3.92 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 23 I 7.82 3.26 1.59 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 -0.49 0.00 0.00 24 E 8.07 3.86 0.00 2.27 1.94 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 2.37 2.48 0.00 25 T 7.90 3.85 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 1.15 0.00 0.00 26 T 7.63 4.02 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 1.20 0.00 0.00 27 I 7.70 3.52 1.22 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 0.68 -0.16 0.08 0.00 0.00 28 G 7.53 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 0.00 0.00 0.00 29 G 9.06 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.95 4.94 0.00 2.46 2.62 0.00 0.00 6.56 7.38 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 31 A 8.23 4.87 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 32 Y 8.80 4.26 0.00 3.10 3.03 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 33 Q 7.57 4.07 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.31 0.00 0.00 0.00 0.00 0.00 2.44 1.91 0.00 34 H 7.64 3.82 0.00 3.31 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.53 4.40 0.00 2.67 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 36 K 7.11 4.01 0.00 0.79 0.74 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.03 1.00 7.81 37 V 6.65 3.42 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 1.39 0.00 0.00 0.38 0.00 0.00 38 N 7.73 4.48 0.00 2.69 2.79 0.00 0.00 7.26 6.92 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 39 N 7.60 4.45 0.00 2.69 2.69 0.00 0.00 7.25 7.95 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 40 W 8.00 4.42 0.00 3.64 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 41 T 8.51 4.05 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 1.34 0.00 0.00 42 G 7.77 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 0.00 0.00 0.00 43 Q 8.09 4.04 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.75 0.00 44 V 7.96 3.55 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 0.93 0.00 0.00 0.96 0.00 0.00 45 V 7.79 3.60 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 0.98 0.00 0.00 0.99 0.00 0.00 46 E 8.56 3.91 0.00 2.06 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 2.30 2.31 0.00 47 N 8.64 4.17 0.00 2.82 2.91 0.00 0.00 7.24 7.63 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 48 C 8.27 3.93 0.00 3.05 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 49 L 7.97 3.91 0.00 1.84 1.73 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.03 3.83 4.43 0.00 0.00 0.00 0.00 0.00 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 51 V 7.77 3.66 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 0.94 0.00 0.00 0.90 0.00 0.00 52 L 7.66 3.73 0.00 1.10 0.60 0.67 0.48 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 53 T 7.90 4.32 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 1.32 0.00 0.00 54 K 7.58 3.94 0.00 1.83 1.85 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.47 7.81 55 E 8.21 3.99 0.00 2.15 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 2.38 2.35 0.00 56 Q 7.68 3.78 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.89 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 57 K 7.32 4.22 0.00 2.07 1.95 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.59 7.81 58 P 0.00 4.78 0.00 2.06 2.05 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 59 Y 8.16 4.90 0.00 2.65 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 0.00 0.00 0.00 0.00 60 K 9.00 4.67 0.00 1.72 1.73 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.36 7.81 61 Y 8.58 5.56 0.00 2.93 2.91 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 0.00 0.00 0.00 62 I 9.39 4.76 2.14 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 1.19 0.84 1.00 0.00 0.00 63 V 8.68 5.17 2.16 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 0.89 0.00 0.00 1.03 0.00 0.00 64 T 9.17 4.90 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 1.36 0.00 0.00 65 A 8.27 5.34 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 *67 I 8.03 4.65 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.84 1.24 0.00 0.00 *69 Q 8.23 3.93 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.92 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 70 K 8.83 4.12 0.00 1.69 1.62 0.00 1.69 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.78 0.95 7.81 71 N 8.83 4.74 0.00 2.58 2.73 0.00 0.00 7.45 7.98 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 72 G 8.45 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 73 A 7.69 4.16 1.27 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 0.00 0.00 74 G 8.30 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 75 L 7.85 4.73 0.00 1.42 1.24 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.74 4.94 0.00 3.08 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.29 4.76 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 1.22 0.00 0.00 78 A 8.21 4.73 1.22 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 0.00 0.00 79 S 8.07 4.63 0.00 4.09 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 80 S 7.85 4.41 0.00 3.74 3.63 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 0.00 0.00 0.00 0.00 81 C 7.78 4.42 0.00 1.67 2.20 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 82 Y 8.15 4.50 0.00 2.78 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 83 W 7.90 4.79 0.00 3.55 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 84 N 9.55 4.50 0.00 2.58 2.70 0.00 0.00 7.65 5.56 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 85 N 8.62 4.38 0.00 2.77 2.89 0.00 0.00 7.06 8.06 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 86 D 8.40 4.76 0.00 2.70 2.65 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 87 T 7.66 4.57 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 1.16 0.00 0.00 88 D 7.56 4.50 0.00 1.58 1.97 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 G 7.63 3.62 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 0.00 0.00 0.00 90 S 8.22 4.98 0.00 3.27 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 91 C 8.85 4.74 0.00 3.14 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 92 T 8.64 5.02 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 1.24 0.00 0.00 93 V 9.09 4.48 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 1.07 0.00 0.00 0.96 0.00 0.00 94 R 8.67 5.24 0.00 1.80 1.91 0.00 3.26 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 95 W 9.41 5.45 0.00 3.34 3.03 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 96 E 7.58 5.15 0.00 1.73 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 2.05 2.04 0.00 97 N 7.98 4.56 0.00 2.54 2.12 0.00 0.00 6.00 7.13 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 98 K 8.73 3.82 0.00 1.68 1.88 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.36 7.81 99 T 7.81 4.40 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 1.26 0.00 0.00 *101 Y 7.50 5.13 0.00 3.04 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 0.00 102 C 9.86 5.21 0.00 3.07 2.98 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 0.00 103 I 8.58 5.15 1.93 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 1.19 1.01 0.00 0.00 104 V 8.87 4.72 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 0.91 0.00 0.00 105 S 9.15 5.21 0.00 3.65 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 0.00 106 V 8.48 5.01 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 1.26 0.00 0.00 0.98 0.00 0.00 107 F 9.91 5.32 0.00 3.06 3.12 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 0.00 108 G 9.11 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 0.00 0.00 0.00 0.00 109 L 8.88 5.28 0.00 1.58 1.52 1.14 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.85 2.97 0.57 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 0.00 0.00 111 V 8.47 3.67 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 0.68 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.