NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.8063 8.1444 118.3774 57.8602 39.0540 176.0168 *5 F 4.6696 8.4416 130.8754 59.1886 40.9602 172.9487 6 I 4.8687 7.7739 126.3375 59.3964 40.2728 173.9106 7 E 4.8752 9.0360 128.6784 54.5600 31.3780 175.0323 8 T 4.9117 8.6746 116.3066 59.7763 72.3323 172.9212 9 K 4.6898 8.9476 123.6115 55.1400 34.9889 175.1779 10 T 4.7862 8.4670 123.0597 61.9225 70.6158 173.7227 11 F 5.0449 9.3240 126.7744 56.1528 41.3130 175.0898 12 T 4.9522 8.9695 121.8238 62.5914 69.9502 174.5866 13 V 5.0142 8.8521 119.0847 58.9861 36.6796 175.3254 14 K 4.3323 9.0067 122.2850 56.1135 33.2004 176.5377 15 E 4.0841 8.8159 123.7343 58.4737 29.6919 177.4496 16 G 3.9883 9.9169 114.8015 45.6923 0.0000 173.6420 17 T 4.5269 7.7310 108.5609 60.9716 69.6552 176.1807 18 S 4.1656 8.2000 119.2540 61.8960 62.6494 175.9252 19 N 4.3545 8.1792 119.9456 56.1704 38.6416 176.6695 20 I 3.5938 7.7397 121.6172 64.3777 37.3234 178.3642 21 V 3.5491 7.6779 118.4086 65.8946 31.1514 177.9755 22 V 3.6493 7.4178 116.7019 66.0984 31.7130 177.4538 23 E 4.0921 8.4038 118.5264 59.4916 29.1025 179.1230 24 R 3.7580 7.7403 117.3111 58.9293 30.0224 177.6051 25 F 4.7509 7.7404 113.4268 56.5845 39.8128 175.2668 26 T 4.5358 7.4663 115.8825 62.5271 70.0491 173.7724 27 G 4.2093 8.9055 111.3092 43.3507 0.0000 173.7433 28 E 4.3893 8.5743 121.2052 56.8267 30.9676 177.0532 29 G 3.8803 8.7128 113.9196 45.4157 0.0000 174.7315 30 I 4.4322 8.4034 120.6506 61.1052 40.5055 177.1445 31 I 2.6539 7.6901 120.4892 63.4333 37.6806 177.2262 32 E 2.0000 7.3247 116.1637 57.4662 29.4673 177.3299 33 K 4.2817 7.4871 117.7882 56.5907 33.0025 176.8021 34 F 4.3630 7.9854 119.1564 56.1909 39.9052 174.7332 35 E 4.3086 8.7111 125.0111 57.7714 29.9553 177.2694 36 G 4.2220 9.2625 114.1576 45.2205 0.0000 172.5826 37 F 3.5314 8.1498 122.2428 58.0724 39.2180 173.6998 38 I 4.1400 6.5556 129.3125 61.6777 37.4535 175.3468 39 D 4.1918 6.3364 118.3340 52.2248 43.0120 172.9182 40 L 4.9747 8.4451 120.8428 53.3829 44.1643 175.7335 41 S 4.5960 8.4850 120.5913 56.6408 66.5000 172.8205 42 V 4.5611 8.3808 124.2453 61.4712 32.7363 174.6458 43 L 4.6195 9.2257 129.5482 53.1517 43.5812 175.7067 44 V 4.6951 8.2094 124.3654 60.6974 32.9922 175.1888 45 K 4.1023 8.9715 130.9007 56.0453 32.8654 176.3776 46 K 4.1375 8.6786 128.6873 56.3724 32.1658 176.2593 47 V 4.5461 7.9581 119.0957 59.4202 35.1361 176.1796 48 R 4.0384 8.6845 123.4719 58.6696 30.1616 176.9222 49 R 4.5780 7.4584 110.5777 55.4819 32.9524 175.0915 50 G 3.7994 8.3491 104.7821 44.2813 0.0000 172.4869 51 D 4.5862 8.5713 118.9629 55.3668 41.4011 176.7222 52 E 4.6143 9.1132 122.4928 55.3072 32.4625 174.6337 53 E 5.1782 8.4590 120.5714 54.7327 33.4136 173.8810 54 V 4.8898 9.1794 126.7027 61.0989 34.8611 173.9756 55 V 4.7793 9.0019 128.2492 61.3856 33.5608 175.4344 56 V 4.5315 8.3714 128.0263 60.8088 34.3305 174.2681 *58 I 4.1477 7.9563 121.7594 61.2029 38.6340 175.0264 59 R 4.9165 8.3684 126.5920 54.2493 32.1201 175.5347 60 W 5.2448 8.9564 123.0494 54.7648 32.2564 175.7891 61 E 4.4297 9.8941 122.2879 59.3901 29.7721 177.1375 62 S 4.9353 8.1802 111.8970 56.0399 65.9030 175.2136 63 E 2.7221 8.9743 121.2921 59.3458 29.0161 178.5959 64 E 4.1529 8.2159 118.0948 58.9109 29.4853 178.4574 65 A 4.0948 7.7100 121.0251 54.6142 18.5070 179.4267 66 W 2.7691 7.8897 126.6158 60.2311 30.9237 178.3171 67 K 3.2494 8.4266 118.7292 59.1973 31.1481 178.8528 68 N 4.1946 7.4152 116.4185 56.4556 39.1551 176.5036 69 W 3.9613 7.5014 129.9128 60.1344 30.4328 177.5799 70 E 3.0262 7.4945 119.0631 58.7341 29.0519 178.0359 71 T 4.1373 6.8589 106.1041 60.8130 69.5785 174.9842 72 S 4.3704 6.6105 117.1450 58.0250 63.8933 175.2149 73 E 3.9581 8.5453 120.7442 59.2846 29.5579 178.6485 74 E 4.1344 8.1623 117.7620 59.3953 29.9417 177.6135 75 H 3.8962 7.3430 117.1512 58.4592 30.3954 176.1348 76 L 3.9826 7.4638 120.2439 53.2595 39.8753 176.2956 *84 G 3.6428 7.4496 107.6937 44.9895 0.0000 170.4087 85 K 4.2716 8.3325 121.7891 53.9232 32.8823 174.9555 86 P 4.2392 0.0000 0.0000 63.0623 30.2657 175.9099 87 K 4.4626 8.4265 120.2571 54.3316 32.7728 175.5193 88 P 4.5793 0.0000 0.0000 64.8741 31.8865 178.5632 89 D 4.4471 7.5394 116.4764 56.6849 39.0378 177.8748 90 H 4.5147 8.2213 113.8083 56.3425 29.3369 174.4032 91 I 4.3345 7.3422 122.0635 61.1053 37.2042 175.6382 92 I 4.3156 8.8203 127.5367 62.8623 38.8966 175.8105 93 N 4.9314 7.7485 117.9274 52.4034 42.3430 173.4340 94 V 4.7014 8.3066 124.2276 61.1772 34.6642 173.6938 95 D 5.0051 8.8944 126.0784 52.9106 45.3790 173.2488 96 H 5.4068 8.5026 119.2965 54.8945 33.0954 171.8937 97 A 4.4419 8.2171 124.2258 50.9859 22.8828 175.5007 98 V 4.2997 7.4128 111.3397 59.6357 35.7635 174.8925 99 Y 4.4303 7.3949 119.3323 56.4412 42.5205 173.7619 100 Y 4.7068 8.2732 120.6703 56.8054 39.3467 175.9793 101 V 3.7772 8.5525 124.7078 62.2622 30.4954 175.5349 102 K 3.6422 8.1118 125.8957 56.9585 32.6214 177.2043 103 S 4.6334 7.5100 111.0923 57.6167 64.9452 173.4812 104 S 4.6842 8.2369 119.2231 57.4944 65.3142 173.7056 105 K 4.5099 8.2429 118.9012 55.4162 35.1203 175.5237 106 A 4.5706 8.2248 123.8231 49.8312 21.4355 176.1087 107 A 4.0164 8.3596 121.3493 52.5369 18.6617 176.9760 108 Y 4.0609 8.6036 123.2109 57.9035 38.9718 176.0225 109 Q 3.7126 7.9212 125.7050 54.4088 30.5227 174.2849 110 Q 3.8831 7.7588 123.1425 56.2296 28.9501 175.9725 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 3 Y 8.14 4.81 0.00 3.27 2.63 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 *5 F 8.44 4.67 0.00 3.36 3.16 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 6 I 7.77 4.87 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.73 0.83 0.00 0.00 7 E 9.04 4.88 0.00 1.72 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 2.25 2.08 0.00 8 T 8.67 4.91 4.22 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 1.19 0.00 0.00 9 K 8.95 4.69 0.00 1.64 1.57 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.29 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.45 1.46 7.81 10 T 8.47 4.79 4.16 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 1.20 0.00 0.00 11 F 9.32 5.04 0.00 3.07 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 12 T 8.97 4.95 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 1.24 0.00 0.00 13 V 8.85 5.01 2.29 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 0.85 0.00 0.00 1.00 0.00 0.00 14 K 9.01 4.33 0.00 1.73 1.76 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.53 7.81 15 E 8.82 4.08 0.00 2.04 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 2.31 2.35 0.00 16 G 9.92 3.99 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 17 T 7.73 4.53 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 1.29 0.00 0.00 18 S 8.20 4.17 0.00 4.08 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 0.00 19 N 8.18 4.35 0.00 2.85 2.84 0.00 0.00 7.24 7.71 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 20 I 7.74 3.59 1.70 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.67 0.00 0.00 21 V 7.68 3.55 2.14 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 0.70 0.00 0.00 0.82 0.00 0.00 22 V 7.42 3.65 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 0.91 0.00 0.00 0.95 0.00 0.00 23 E 8.40 4.09 0.00 2.14 1.96 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 2.32 2.47 0.00 24 R 7.74 3.76 0.00 1.92 2.00 0.00 3.02 0.00 0.00 2.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.47 0.00 25 F 7.74 4.75 0.00 3.19 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 26 T 7.47 4.54 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 27 G 8.91 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 0.00 0.00 0.00 0.00 28 E 8.57 4.39 0.00 1.96 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 2.47 2.31 0.00 29 G 8.71 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 30 I 8.40 4.43 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 1.19 0.00 0.00 31 I 7.69 2.65 1.10 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.54 0.00 0.00 32 E 7.32 2.00 0.00 1.66 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 2.06 2.12 0.00 33 K 7.49 4.28 0.00 1.93 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.49 7.81 34 F 7.99 4.36 0.00 3.54 3.46 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 35 E 8.71 4.31 0.00 1.97 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 2.37 2.50 0.00 36 G 9.26 4.22 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 0.00 37 F 8.15 3.53 0.00 2.62 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 38 I 6.56 4.14 1.62 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.76 0.00 0.00 39 D 6.34 4.19 0.00 2.61 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 40 L 8.45 4.97 0.00 1.84 1.72 1.11 0.98 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 41 S 8.48 4.60 0.00 3.80 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 42 V 8.38 4.56 2.10 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 0.82 0.00 0.00 0.99 0.00 0.00 43 L 9.23 4.62 0.00 1.76 1.54 0.88 0.79 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 44 V 8.21 4.70 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 0.77 0.00 0.00 0.94 0.00 0.00 45 K 8.97 4.10 0.00 1.83 1.71 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.38 7.81 46 K 8.68 4.14 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.46 7.81 47 V 7.96 4.55 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 0.81 0.00 0.00 0.94 0.00 0.00 48 R 8.68 4.04 0.00 1.80 1.99 0.00 3.18 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 49 R 7.46 4.58 0.00 1.86 1.87 0.00 3.05 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 50 G 8.35 3.80 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 0.00 0.00 0.00 51 D 8.57 4.59 0.00 2.59 2.66 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 0.00 0.00 0.00 0.00 52 E 9.11 4.61 0.00 1.95 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 0.00 2.29 2.42 0.00 53 E 8.46 5.18 0.00 2.01 1.74 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 2.28 2.45 0.00 54 V 9.18 4.89 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 0.98 0.00 0.00 0.97 0.00 0.00 55 V 9.00 4.78 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 0.83 0.00 0.00 0.92 0.00 0.00 56 V 8.37 4.53 1.79 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 0.98 0.00 0.00 0.17 0.00 0.00 *58 I 7.96 4.15 2.16 0.00 0.00 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 1.42 0.71 0.77 0.00 0.00 59 R 8.37 4.92 0.00 1.53 1.67 0.00 2.96 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 60 W 8.96 5.24 0.00 3.53 3.33 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 61 E 9.89 4.43 0.00 2.09 2.15 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 2.42 2.34 0.00 62 S 8.18 4.94 0.00 4.05 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 63 E 8.97 2.72 0.00 1.78 1.92 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 2.22 1.57 0.00 64 E 8.22 4.15 0.00 2.12 1.96 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 2.38 2.45 0.00 65 A 7.71 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 66 W 7.89 2.77 0.00 2.94 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 67 K 8.43 3.25 0.00 1.75 1.70 0.00 1.67 0.00 0.00 1.34 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.60 7.81 68 N 7.42 4.19 0.00 2.72 3.11 0.00 0.00 7.18 7.81 0.00 0.00 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 W 7.50 3.96 0.00 2.98 2.38 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 70 E 7.49 3.03 0.00 1.16 1.20 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 1.47 1.90 0.00 71 T 6.86 4.14 4.10 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 1.06 0.00 0.00 72 S 6.61 4.37 0.00 4.30 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 0.00 73 E 8.55 3.96 0.00 1.98 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 2.27 2.31 0.00 74 E 8.16 4.13 0.00 2.10 2.26 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 2.72 2.54 0.00 75 H 7.34 3.90 0.00 1.40 2.37 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.46 3.98 0.00 1.65 1.50 0.66 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *84 G 7.45 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 0.00 0.00 0.00 85 K 8.33 4.27 0.00 1.72 1.72 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 86 P 0.00 4.24 0.00 2.26 2.10 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 87 K 8.43 4.46 0.00 1.90 1.90 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.43 7.81 88 P 0.00 4.58 0.00 2.20 2.12 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 89 D 7.54 4.45 0.00 2.79 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 90 H 8.22 4.51 0.00 3.36 3.59 0.00 5.45 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.34 4.33 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.14 1.04 0.00 0.00 92 I 8.82 4.32 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.58 0.93 0.00 0.00 93 N 7.75 4.93 0.00 2.74 2.60 0.00 0.00 6.58 7.71 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 94 V 8.31 4.70 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 0.37 0.00 0.00 0.97 0.00 0.00 95 D 8.89 5.01 0.00 2.64 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.50 5.41 0.00 3.08 3.07 0.00 6.00 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 97 A 8.22 4.44 0.84 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 0.00 0.00 98 V 7.41 4.30 0.93 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 0.05 0.00 0.00 0.65 0.00 0.00 99 Y 7.39 4.43 0.00 2.50 2.54 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 0.00 100 Y 8.27 4.71 0.00 2.78 2.68 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 0.00 101 V 8.55 3.78 2.14 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 0.82 0.00 0.00 0.89 0.00 0.00 102 K 8.11 3.64 0.00 1.59 1.61 0.00 1.69 0.00 0.00 1.43 0.00 0.00 2.71 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 1.16 7.81 103 S 7.51 4.63 0.00 3.78 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 0.00 104 S 8.24 4.68 0.00 3.97 3.77 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 0.00 105 K 8.24 4.51 0.00 1.85 1.78 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.44 7.81 106 A 8.22 4.57 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 0.00 107 A 8.36 4.02 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 0.00 108 Y 8.60 4.06 0.00 2.90 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 0.00 109 Q 7.92 3.71 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 110 Q 7.76 3.88 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.