NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5564 8.3644 120.2006 54.0872 43.2113 175.2552 2 V 3.5796 7.5935 118.5960 63.3696 32.1602 173.9845 3 Q 4.5635 9.7556 128.2250 54.1240 33.1016 171.4589 4 L 5.0709 8.6730 124.1612 52.2146 43.9027 175.8728 5 V 4.3233 8.4972 124.9977 61.3165 32.9461 174.6066 6 E 5.7987 8.7600 126.4613 54.5472 33.2499 174.8123 7 S 4.3775 8.5923 114.9025 58.4109 65.7617 175.0526 8 G 4.0113 8.6398 107.2469 46.5859 0.0000 174.1495 9 G 3.7889 7.2278 106.8256 44.0833 0.0000 172.5802 10 G 4.0755 7.3036 109.0074 44.7716 0.0000 171.6187 11 S 4.8392 7.9455 114.4130 58.1214 64.0623 173.8908 12 V 4.5576 8.5266 120.8895 61.2704 35.7208 173.8510 13 Q 4.3885 8.6503 123.9313 55.1213 29.9591 174.0009 14 A 4.1646 8.7870 128.9137 56.4882 17.9195 176.3889 15 G 3.7422 8.2770 109.1019 46.1496 0.0000 173.5400 16 G 3.9092 8.3855 110.6000 44.6883 0.0000 172.3672 17 S 4.9561 8.0886 112.4521 56.8869 65.6376 173.8796 18 L 4.5090 8.6692 122.1873 53.8547 46.5975 174.5080 19 R 4.6950 8.1722 120.7708 55.0046 33.2166 173.6472 20 L 4.8897 8.4504 126.9796 53.3537 44.1286 175.8663 21 S 5.1850 8.7338 115.6777 56.8359 66.8741 172.2976 22 C 5.0493 9.3972 122.1608 54.5943 46.1397 172.2834 23 A 4.5717 9.1418 128.5919 51.3657 19.6369 176.1709 24 V 4.8128 8.3224 121.6226 61.0608 33.8204 174.9654 25 S 4.6369 8.9668 122.5336 57.5027 66.3937 172.8022 26 G 3.8136 8.8200 108.8323 45.0649 0.0000 173.7750 27 S 4.2652 8.0923 116.0587 57.1208 62.0399 170.5093 28 T 4.2043 8.2771 121.1951 61.2287 67.6633 175.1546 29 Y 3.5205 7.6287 115.4140 57.9829 36.0066 169.6435 30 S 4.7579 7.3316 112.7550 56.9171 66.0725 175.0160 31 P 4.3841 0.0000 0.0000 63.3402 31.8499 175.6763 32 C 5.2169 8.3021 116.1149 55.5966 44.9100 172.4767 33 T 4.7139 8.6700 116.4613 63.1749 70.1273 174.6050 34 T 4.7713 8.7173 122.2348 61.7640 71.7265 173.4423 35 G 4.3266 9.1473 113.0603 43.9109 0.0000 171.0636 36 W 5.3716 8.3201 118.9382 54.7765 32.1982 175.4988 37 V 5.2553 9.7060 118.4761 59.5845 34.6319 174.9748 38 R 5.1841 8.8446 119.3600 54.4659 33.5374 174.0603 39 Q 4.9239 9.1103 120.3875 53.0981 31.7746 174.5461 40 A 4.7938 8.5961 128.0840 50.1023 19.7350 175.1284 41 P 3.9989 0.0000 0.0000 64.2956 32.2264 177.3257 42 G 3.9748 8.6588 112.3104 45.4051 0.0000 171.0269 43 K 4.3691 7.1997 115.4564 55.6569 36.6283 176.0968 44 G 3.9327 8.2063 108.4572 45.1275 0.0000 172.4853 45 L 4.8012 8.1810 118.6147 53.4276 43.5719 175.9341 46 E 4.8506 8.7803 119.0351 54.2588 33.2062 174.2374 47 W 4.4047 9.2308 134.1731 58.3636 31.0549 175.0395 48 V 4.2565 8.8970 128.5206 64.4555 32.0867 175.4722 49 S 4.7553 7.0495 112.7047 57.5234 66.3882 172.2567 50 S 4.8779 8.7221 114.6050 57.0135 66.5831 172.6381 51 I 5.0973 8.3789 124.4749 59.0184 40.7665 175.3792 52 S 4.6240 9.2582 125.0602 57.6814 63.9483 175.2695 53 S 4.2639 8.6407 114.4454 60.4370 62.0276 173.6308 54 P 4.2662 0.0000 0.0000 65.2055 31.1137 176.7266 55 G 3.9984 7.4170 105.1018 45.4277 0.0000 173.3546 56 T 4.3121 8.5354 118.7697 62.8150 69.3220 174.6574 57 I 4.6682 8.4910 129.7977 61.7774 38.9626 175.5405 *58 Y 4.8538 8.0957 122.9880 56.6361 41.5136 174.4911 59 Y 5.2718 8.5197 119.8967 55.2350 42.2969 175.0738 60 Q 4.1834 9.5965 125.1335 56.7886 29.4223 176.8655 61 D 4.5133 9.2097 127.0432 57.7760 41.3739 179.1734 62 S 4.0932 8.2857 112.4026 61.0304 62.5854 175.0498 63 V 3.7645 8.0666 111.5971 60.5336 31.6740 175.7988 64 K 3.8730 7.4412 119.8781 57.5556 32.2013 178.4358 65 G 4.0172 8.4486 109.8603 45.8041 0.0000 173.9515 66 R 4.5088 7.4592 116.3783 56.4947 33.4236 175.6634 67 F 5.6891 8.0802 116.6348 56.0472 41.0764 175.8169 68 T 4.8409 9.1064 119.7786 61.7199 71.9654 172.5645 69 I 5.4801 9.2471 126.6689 58.4872 39.9983 174.6883 70 S 5.0153 8.8463 122.6247 56.5955 67.0318 172.5809 71 R 4.9848 8.5838 120.0249 54.7952 33.1134 173.9387 72 D 4.8130 9.2201 126.9032 52.5421 42.1196 176.2396 73 N 4.3258 8.8521 124.5589 56.0844 39.1514 177.7540 74 A 3.9618 8.2709 120.0803 55.2150 18.4352 178.3905 75 K 4.1576 8.0150 111.5627 56.0672 33.0122 176.2244 76 N 4.1213 7.8203 117.3963 55.0426 37.9293 173.3834 77 T 4.9997 7.9418 112.9752 61.7218 73.1308 174.6405 78 V 4.7003 8.1937 125.1922 61.3571 34.2772 174.0003 79 Y 5.4184 9.2758 123.8360 56.2418 42.2383 174.8061 80 L 4.6183 8.7583 123.0899 53.4214 45.1660 175.1007 81 Q 4.4606 9.6142 130.8252 55.7080 30.2842 174.3439 82 M 4.6160 9.0566 127.9219 53.6954 33.9165 175.0532 83 N 5.1685 8.7212 120.5644 50.9057 42.7963 173.9226 84 S 3.6325 8.5438 111.3146 59.3086 60.8448 172.9247 85 L 4.1320 7.6658 119.8623 55.1277 41.9959 177.8321 86 Q 4.7658 9.0619 125.4646 54.6768 31.1835 177.7768 87 R 4.1117 8.5623 119.1709 60.0946 29.5502 177.6574 88 E 4.2849 8.2543 113.3346 58.5051 29.6706 179.1676 89 D 5.0100 7.6551 115.3512 55.3322 41.2218 176.5497 90 T 4.4259 8.4694 118.7661 62.0586 69.2021 175.0523 91 G 3.8829 8.2842 113.3197 45.8827 0.0000 169.7994 92 M 4.7870 7.9219 119.4112 54.3413 33.9956 174.6852 93 Y 5.1074 9.3445 124.3299 56.6932 40.4666 174.3036 94 Y 5.7753 10.3689 121.9078 55.3827 42.1041 172.2549 95 C 4.5961 8.9922 117.3202 53.7783 40.2211 172.2069 96 Q 4.5858 8.4610 121.7777 54.1183 32.2844 173.5317 97 I 4.8917 8.1417 118.8613 59.1215 40.9310 174.3510 98 Q 4.7962 9.0489 124.0519 54.6610 31.3804 174.0373 99 C 4.8931 9.0348 123.3655 54.8221 42.1458 174.9927 *100 G 3.6385 8.3109 109.4328 44.9644 0.0000 171.8378 *103 S 4.0563 8.3268 117.2112 59.2413 63.4386 174.8339 104 I 4.2119 7.8716 127.2028 58.4413 34.1648 171.7532 105 R 4.2148 7.9808 123.6280 55.5060 31.4679 176.1115 106 E 5.0914 8.4416 124.7426 54.5167 32.5483 174.4301 107 Y 5.0274 8.5944 122.2438 56.1020 42.4113 174.3810 108 W 5.2740 9.0160 120.4371 55.0532 33.2476 175.5382 109 G 4.5855 8.7470 111.9803 45.5412 0.0000 174.3227 110 Q 4.6305 8.7570 116.3864 53.9663 28.2914 171.5117 111 G 4.1277 8.4055 109.5036 45.7834 0.0000 173.2643 112 T 4.6541 7.5618 112.4941 60.2665 71.0863 172.3521 113 Q 4.6034 8.6773 129.0088 55.4312 31.3877 174.6040 114 V 4.7087 8.9861 124.8781 61.8903 35.0534 173.7814 115 T 4.8783 8.4049 124.3959 61.6645 71.6496 173.3032 116 V 4.7760 8.4323 126.9564 60.6727 33.0672 175.5619 117 S 4.4104 8.7407 122.7034 59.0031 62.2348 174.4830 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 8.36 4.56 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 3.58 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 0.43 0.00 0.00 3 Q 9.76 4.56 0.00 1.72 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 4 L 8.67 5.07 0.00 1.46 1.54 0.87 0.77 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 5 V 8.50 4.32 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 0.93 0.00 0.00 0.93 0.00 0.00 6 E 8.76 5.80 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 2.29 1.68 0.00 7 S 8.59 4.38 0.00 3.87 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 8 G 8.64 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 0.00 0.00 0.00 9 G 7.23 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 0.00 0.00 0.00 10 G 7.30 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.95 4.84 0.00 3.89 3.87 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 12 V 8.53 4.56 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 1.01 0.00 0.00 0.89 0.00 0.00 13 Q 8.65 4.39 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.44 1.94 0.00 14 A 8.79 4.16 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 15 G 8.28 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 16 G 8.39 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 17 S 8.09 4.96 0.00 3.81 3.66 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 18 L 8.67 4.51 0.00 1.35 1.26 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.17 4.70 0.00 1.72 1.65 0.00 2.96 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 20 L 8.45 4.89 0.00 0.80 1.30 0.06 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.73 5.18 0.00 3.77 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 0.00 22 C 9.40 5.05 0.00 2.54 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 A 9.14 4.57 1.19 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 0.00 0.00 24 V 8.32 4.81 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 0.73 0.00 0.00 0.87 0.00 0.00 25 S 8.97 4.64 0.00 3.84 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 26 G 8.82 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.09 4.27 0.00 3.63 3.70 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 28 T 8.28 4.20 4.17 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 1.23 0.00 0.00 29 Y 7.63 3.52 0.00 3.12 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 30 S 7.33 4.76 0.00 3.90 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 0.00 31 P 0.00 4.38 0.00 2.48 2.04 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.62 0.00 32 C 8.30 5.22 0.00 2.82 3.23 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 33 T 8.67 4.71 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 1.36 0.00 0.00 34 T 8.72 4.77 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 0.89 0.00 0.00 35 G 9.15 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 0.00 0.00 0.00 0.00 36 W 8.32 5.37 0.00 3.20 3.15 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 37 V 9.71 5.26 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 1.05 0.00 0.00 1.58 0.00 0.00 38 R 8.84 5.18 0.00 1.05 1.33 0.00 2.83 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 39 Q 9.11 4.92 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 40 A 8.60 4.79 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 41 P 0.00 4.00 0.00 2.07 2.06 0.00 3.86 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 2.06 2.13 0.00 42 G 8.66 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 43 K 7.20 4.37 0.00 1.83 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.36 7.81 44 G 8.21 3.93 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 0.00 0.00 0.00 45 L 8.18 4.80 0.00 1.69 1.67 0.74 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.78 4.85 0.00 2.21 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 0.00 2.18 2.12 0.00 47 W 9.23 4.40 0.00 3.53 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 48 V 8.90 4.26 2.34 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 1.15 0.00 0.00 1.20 0.00 0.00 49 S 7.05 4.76 0.00 3.68 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 50 S 8.72 4.88 0.00 3.40 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 51 I 8.38 5.10 1.87 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 1.30 1.33 0.98 0.00 0.00 52 S 9.26 4.62 0.00 4.02 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 53 S 8.64 4.26 0.00 3.86 3.95 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 54 P 0.00 4.27 0.00 2.37 2.12 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.60 0.00 55 G 7.42 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.54 4.31 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 1.24 0.00 0.00 57 I 8.49 4.67 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 0.47 0.00 0.00 *58 Y 8.10 4.85 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 0.00 0.00 0.00 59 Y 8.52 5.27 0.00 2.83 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 60 Q 9.60 4.18 0.00 2.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 61 D 9.21 4.51 0.00 2.87 2.76 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 0.00 62 S 8.29 4.09 0.00 3.83 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 63 V 8.07 3.76 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 0.00 0.00 0.39 0.00 0.00 1.06 0.00 0.00 64 K 7.44 3.87 0.00 1.88 1.61 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.26 7.81 65 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 66 R 7.46 4.51 0.00 1.67 2.11 0.00 3.21 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 67 F 8.08 5.69 0.00 2.89 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 68 T 9.11 4.84 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 1.29 0.00 0.00 69 I 9.25 5.48 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 2.40 0.80 0.00 0.00 70 S 8.85 5.02 0.00 3.99 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 71 R 8.58 4.98 0.00 1.82 1.83 0.00 3.19 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 72 D 9.22 4.81 0.00 2.99 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 73 N 8.85 4.33 0.00 2.80 2.85 0.00 0.00 6.92 8.14 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 74 A 8.27 3.96 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 75 K 8.01 4.16 0.00 1.76 1.88 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.52 7.81 76 N 7.82 4.12 0.00 2.86 2.84 0.00 0.00 6.88 6.49 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 77 T 7.94 5.00 4.08 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 0.00 0.00 0.62 0.00 0.00 78 V 8.19 4.70 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 1.15 0.00 0.00 0.81 0.00 0.00 79 Y 9.28 5.42 0.00 2.90 2.77 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 80 L 8.76 4.62 0.00 0.34 0.38 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.61 4.46 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 82 M 9.06 4.62 0.00 1.45 1.50 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 0.00 83 N 8.72 5.17 0.00 2.69 2.68 0.00 0.00 7.04 6.91 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 84 S 8.54 3.63 0.00 3.97 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 85 L 7.67 4.13 0.00 1.78 1.63 0.86 0.74 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 86 Q 9.06 4.77 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 87 R 8.56 4.11 0.00 1.74 1.93 0.00 3.27 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 88 E 8.25 4.28 0.00 1.98 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 2.23 1.92 0.00 89 D 7.66 5.01 0.00 2.95 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 90 T 8.47 4.43 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 1.32 0.00 0.00 91 G 8.28 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 92 M 7.92 4.79 0.00 2.30 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.40 0.00 93 Y 9.34 5.11 0.00 3.00 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 94 Y 10.37 5.78 0.00 3.24 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 95 C 8.99 4.60 0.00 1.75 1.18 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 96 Q 8.46 4.59 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 97 I 8.14 4.89 1.82 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 1.23 0.67 0.74 0.00 0.00 98 Q 9.05 4.80 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 99 C 9.03 4.89 0.00 3.00 3.08 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 0.00 0.00 0.00 *100 G 8.31 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 *103 S 8.33 4.06 0.00 4.00 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 0.00 104 I 7.87 4.21 1.87 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 1.41 0.76 0.91 0.00 0.00 105 R 7.98 4.21 0.00 2.17 1.76 0.00 3.15 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 106 E 8.44 5.09 0.00 2.13 1.73 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 2.17 1.86 0.00 107 Y 8.59 5.03 0.00 2.91 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 0.00 108 W 9.02 5.27 0.00 3.15 3.21 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 0.00 109 G 8.75 4.59 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 0.00 110 Q 8.76 4.63 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.02 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 111 G 8.41 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 0.00 112 T 7.56 4.65 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 1.35 0.00 0.00 113 Q 8.68 4.60 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 114 V 8.99 4.71 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 0.89 0.00 0.00 0.79 0.00 0.00 115 T 8.40 4.88 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 1.23 0.00 0.00 116 V 8.43 4.78 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 0.81 0.00 0.00 1.01 0.00 0.00 117 S 8.74 4.41 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.