NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3328 8.2649 123.5862 51.7650 19.1369 177.3170 3 R 4.7426 8.3179 122.4943 56.2000 29.2615 176.7240 4 I 4.0622 8.4338 129.3587 61.3714 37.0809 179.4197 5 A 4.5214 8.7939 130.6303 52.5132 20.2125 179.6319 6 G 3.9142 8.0955 107.9976 47.0648 0.0000 176.8537 7 V 4.1632 8.0933 116.5495 60.9060 30.5208 173.1972 8 E 4.6269 8.6228 120.4333 54.4705 33.0253 175.5991 9 I 4.7093 8.1547 125.8314 58.8932 37.2166 173.3178 10 P 4.5946 0.0000 0.0000 62.5340 32.8731 176.9102 11 R 4.4920 7.9923 117.7618 56.4535 33.9660 174.4591 12 N 4.1278 8.9519 113.6886 54.3630 36.6001 173.8696 13 K 4.7147 7.6885 116.3672 53.8672 36.2235 175.8806 14 R 4.8994 8.2214 118.3822 56.4383 30.3044 178.8058 15 V 4.1718 8.3198 115.0895 61.7894 31.0691 176.7477 16 D 4.7984 8.2924 121.2343 53.1957 41.4771 177.3927 17 V 3.8438 7.5108 117.6083 63.9801 31.9171 177.4655 18 A 3.6580 7.6757 120.4053 55.1522 18.0683 179.3689 19 L 3.9658 7.8058 115.5031 58.1595 41.8640 179.2963 20 T 4.3229 7.4305 116.6981 66.1077 68.0582 175.9756 21 Y 4.8989 7.6866 114.2070 58.4626 37.6228 175.2666 22 I 5.3727 7.8149 121.2036 58.5185 39.8099 174.4396 23 Y 4.0589 8.6889 126.2269 60.0384 38.5973 175.6605 24 G 4.0042 8.7053 115.1599 45.2619 0.0000 172.7975 25 I 4.2459 7.9191 120.2745 59.3376 41.1532 174.7707 26 G 4.1153 7.8724 112.1466 42.7470 0.0000 172.4085 27 K 3.8065 8.7480 118.1351 60.4836 31.6415 177.3075 28 A 4.0987 8.0675 119.6382 54.1846 18.5019 178.5459 29 R 3.9525 7.8717 116.7904 58.3388 30.5905 177.9899 30 A 4.2544 8.0562 122.1192 54.2904 18.1070 179.4509 31 K 4.4914 8.1644 116.2335 56.2199 33.2250 177.4755 32 E 4.6576 8.9308 118.4404 58.0262 31.3983 177.5836 33 A 4.6033 8.1178 119.1422 54.0585 19.0359 178.6065 34 L 4.2712 8.0423 116.6001 57.3494 42.5790 179.1891 35 E 3.9812 8.2501 116.3948 59.3695 29.8333 178.5849 36 K 4.1163 7.8800 115.8340 56.4671 31.4016 178.1698 37 T 4.4064 8.0548 105.5013 61.7011 70.0953 173.4702 38 G 3.9427 8.1233 107.9673 46.8030 0.0000 173.9375 39 I 4.1076 7.5222 120.8510 58.8457 36.6464 175.2718 40 N 4.1968 8.7427 123.8141 53.5609 38.9639 173.1697 41 P 4.3590 0.0000 0.0000 65.4218 31.7669 176.6844 42 A 4.4370 7.8138 120.9070 52.9398 18.9457 176.5484 43 T 4.9417 7.5322 113.6006 62.0552 71.2544 172.8096 44 R 5.2317 7.9601 116.5456 55.3156 34.1726 176.1604 45 V 3.6858 8.3107 120.1073 65.3839 31.8612 177.1609 46 K 3.9168 8.1199 120.3866 58.9655 31.9800 176.0227 47 D 4.5497 7.8343 118.2170 52.2475 40.9503 174.5957 48 L 4.4113 8.1766 120.9351 53.4639 43.0238 175.3137 49 T 3.9473 9.3074 120.4411 63.9194 70.3468 174.9776 50 E 3.9204 8.9898 123.5056 59.7474 29.4600 179.6893 51 A 3.9629 7.9805 119.9063 55.4933 18.5714 179.3642 52 E 4.0002 8.1986 116.3414 59.7253 29.4400 179.3974 53 V 3.6059 7.9609 118.6105 65.9381 31.4420 178.1861 54 V 3.5972 8.4021 118.5106 66.0019 31.7233 177.9782 55 R 4.0404 8.6971 118.9374 59.0770 29.6930 178.2366 56 L 3.9880 7.7979 119.3036 58.2284 42.5637 178.7579 57 R 4.0798 8.2277 118.1400 59.5788 29.9014 176.9364 58 E 4.5610 8.3337 120.9228 58.1403 29.0367 177.2746 59 Y 4.2462 7.7793 118.0673 58.7534 38.4884 176.1767 60 V 4.3878 8.0702 115.9085 64.4986 33.6204 176.4750 61 E 4.4633 8.5865 117.8289 56.9413 29.8675 177.6708 62 N 4.7750 7.7445 114.2508 55.2823 41.3335 176.6490 63 T 3.5705 7.5350 113.4384 64.0968 67.7843 174.3044 64 W 4.6595 7.0971 120.9002 55.2384 30.0163 177.6381 65 K 4.0185 8.6763 122.4220 57.9994 32.2954 177.3860 66 L 4.9197 7.9740 115.5924 55.5136 39.9917 172.7231 67 E 3.9724 8.7126 120.4642 56.3244 30.6594 178.9534 68 G 3.6006 9.8629 109.5693 45.0193 0.0000 173.1736 69 E 5.9800 7.9111 130.5375 55.1716 32.0754 175.3954 70 L 4.5876 8.6755 124.9578 56.3244 43.4497 178.1345 71 R 3.7372 7.8603 117.6838 59.7154 30.0195 177.5347 72 A 3.9631 8.1526 120.2511 55.2930 18.1981 179.3562 73 E 3.8054 8.5014 117.8603 59.4419 29.9773 178.7702 74 V 3.5767 7.9828 117.6565 66.4015 31.3807 177.7307 75 A 4.0116 8.0954 119.8946 54.9573 17.9554 179.4142 76 A 3.9807 7.6658 118.5759 55.2565 18.7051 179.3701 77 N 4.4313 8.9383 115.4953 56.5890 38.6932 177.4427 78 I 3.7302 7.5763 120.7808 64.5729 37.2731 178.2370 79 K 3.8964 8.4708 120.5639 59.6093 31.8803 178.7177 80 R 3.9200 8.0967 119.0196 59.2728 30.0841 178.2963 81 L 4.1570 8.0043 118.2597 56.6933 41.2925 177.5539 82 M 4.7250 7.6650 118.0489 55.5666 33.5110 176.2847 83 D 4.3731 8.3688 117.8224 54.0486 39.7088 176.7185 84 I 3.9204 8.3351 125.9518 61.1803 38.8791 176.5284 85 G 3.8650 8.3291 108.0221 46.4165 0.0000 172.4873 86 C 4.5219 7.5003 116.6640 57.8894 32.8627 173.6113 87 Y 4.1247 8.4391 120.1298 61.2346 38.4483 177.8153 88 R 3.9322 8.0732 117.5382 58.8610 30.5997 178.6802 89 G 4.3834 7.8350 106.4573 48.0087 0.0000 174.3096 90 L 4.2182 7.8712 121.1831 54.6413 44.1271 178.4766 91 R 4.0565 8.5220 114.7776 57.8109 29.1678 177.6389 92 H 4.7131 8.3560 113.9898 56.5831 30.7278 176.8746 93 R 4.0847 7.4674 116.7867 58.4447 30.0214 177.5189 94 R 4.2150 7.9974 113.9258 55.1595 31.1997 176.0415 95 G 3.9562 7.3765 105.1358 46.3038 0.0000 171.7046 96 L 4.7495 8.5529 117.7156 52.2063 46.5907 174.9462 97 P 4.3908 0.0000 0.0000 62.7232 31.8576 177.7696 98 V 4.1227 8.0852 127.5536 61.3138 29.9584 175.6601 99 R 4.6201 7.1928 116.6922 56.2533 31.7201 176.3479 100 G 3.9832 8.5809 104.6589 46.4530 0.0000 172.8851 101 Q 4.4784 7.8244 121.6921 53.7143 33.2003 175.2602 102 R 4.0622 8.4821 119.7101 56.7419 29.0560 176.0353 103 T 4.3103 8.2964 116.1503 62.3750 69.8203 176.9326 104 R 3.7619 8.0522 122.0912 58.9420 30.9368 176.1081 105 T 4.2735 7.3029 109.8141 62.7713 69.7944 173.7496 106 N 3.7529 7.6488 117.7372 52.4590 36.6176 173.3881 107 A 4.8313 8.3789 129.3829 52.0266 21.0651 177.6298 108 R 3.9593 7.6033 118.0698 59.6153 30.1779 178.7613 109 T 3.8742 7.3359 114.5567 66.4631 68.5302 176.0170 110 R 4.5017 7.6631 118.3820 56.1382 30.6738 176.7527 111 K 4.3225 7.7136 117.7967 54.7254 34.5495 176.9803 112 G 3.7767 8.7177 114.7895 43.6542 0.0000 168.1867 113 P 4.0026 0.0000 0.0000 61.5916 32.3042 174.1249 114 R 4.5965 8.2940 117.6773 54.7791 31.8115 176.9857 115 K 4.4394 8.0964 121.3904 54.1626 31.7891 176.8431 116 T 3.7956 8.3565 116.0783 64.3843 69.0404 172.9739 117 V 3.4815 8.3472 124.5921 62.6228 30.8108 174.3601 118 A 4.6781 9.0987 128.1957 49.8551 22.2239 174.1084 119 G 3.6926 7.7731 112.5385 45.3218 0.0000 172.2057 120 K 4.5757 7.8676 127.5601 53.9944 34.8221 174.6668 121 K 4.7992 8.1514 120.2258 54.8456 35.9313 176.3592 122 K 4.5301 8.1553 114.7641 55.7151 34.4614 177.0298 123 A 4.6476 7.2494 115.5024 51.4897 21.6322 174.6922 124 P 4.5795 0.0000 0.0000 63.1092 30.0458 180.6515 125 R 4.0417 8.9703 126.2949 56.7674 28.3027 175.8572 *126 K 4.1330 8.0038 122.6835 54.2243 32.4047 176.1357 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 2 A 8.26 4.33 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 3 R 8.32 4.74 0.00 1.91 1.95 0.00 3.28 0.00 0.00 4.01 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 4 I 8.43 4.06 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.97 0.00 0.00 5 A 8.79 4.52 1.32 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 0.00 0.00 6 G 8.10 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 7 V 8.09 4.16 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 0.87 0.00 0.00 0.93 0.00 0.00 8 E 8.62 4.63 0.00 2.03 1.84 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 2.25 2.29 0.00 9 I 8.15 4.71 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 0.98 0.00 0.00 10 P 0.00 4.59 0.00 2.22 2.18 0.00 3.86 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 2.04 0.00 11 R 7.99 4.49 0.00 1.85 1.86 0.00 3.29 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 12 N 8.95 4.13 0.00 2.82 2.87 0.00 0.00 6.57 7.61 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 13 K 7.69 4.71 0.00 1.73 1.57 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.50 7.81 14 R 8.22 4.90 0.00 1.99 2.04 0.00 3.39 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 15 V 8.32 4.17 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 0.71 0.00 0.00 0.93 0.00 0.00 16 D 8.29 4.80 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.51 3.84 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 0.79 0.00 0.00 0.85 0.00 0.00 18 A 7.68 3.66 1.32 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 0.00 0.00 19 L 7.81 3.97 0.00 1.59 1.74 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.43 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 1.25 0.00 0.00 21 Y 7.69 4.90 0.00 3.14 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 22 I 7.81 5.37 2.10 0.00 0.00 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 1.21 1.43 1.02 0.00 0.00 23 Y 8.69 4.06 0.00 3.00 2.82 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 24 G 8.71 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 25 I 7.92 4.25 1.96 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 0.85 0.58 0.78 0.00 0.00 26 G 7.87 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 0.00 0.00 0.00 0.00 27 K 8.75 3.81 0.00 1.84 1.82 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.59 7.81 28 A 8.07 4.10 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 0.00 0.00 29 R 7.87 3.95 0.00 1.36 1.28 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.19 0.00 30 A 8.06 4.25 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 31 K 8.16 4.49 0.00 1.78 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.43 7.81 32 E 8.93 4.66 0.00 2.14 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 2.37 2.58 0.00 33 A 8.12 4.60 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.27 0.00 1.76 1.88 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.25 3.98 0.00 2.15 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 2.64 2.31 0.00 36 K 7.88 4.12 0.00 1.55 1.27 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.83 1.69 7.81 37 T 8.05 4.41 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 1.20 0.00 0.00 38 G 8.12 3.94 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 0.00 0.00 0.00 39 I 7.52 4.11 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.92 0.00 0.00 40 N 8.74 4.20 0.00 2.65 2.77 0.00 0.00 7.26 7.69 0.00 0.00 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 4.36 0.00 2.08 2.09 0.00 3.73 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 2.03 2.09 0.00 42 A 7.81 4.44 1.26 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 0.00 0.00 43 T 7.53 4.94 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 1.25 0.00 0.00 44 R 7.96 5.23 0.00 1.98 1.79 0.00 3.53 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 45 V 8.31 3.69 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 0.77 0.00 0.00 0.96 0.00 0.00 46 K 8.12 3.92 0.00 1.76 1.85 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 47 D 7.83 4.55 0.00 2.76 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 48 L 8.18 4.41 0.00 1.72 1.64 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.31 3.95 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 1.24 0.00 0.00 50 E 8.99 3.92 0.00 1.97 2.03 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 2.42 2.36 0.00 51 A 7.98 3.96 1.32 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 0.00 0.00 52 E 8.20 4.00 0.00 2.17 2.03 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 2.41 2.38 0.00 53 V 7.96 3.61 2.30 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 1.01 0.00 0.00 1.02 0.00 0.00 54 V 8.40 3.60 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 0.87 0.00 0.00 1.01 0.00 0.00 55 R 8.70 4.04 0.00 1.92 1.99 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 56 L 7.80 3.99 0.00 1.99 1.93 1.00 0.86 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 57 R 8.23 4.08 0.00 1.95 2.16 0.00 3.16 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 58 E 8.33 4.56 0.00 2.27 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 2.54 2.33 0.00 59 Y 7.78 4.25 0.00 2.77 2.97 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 60 V 8.07 4.39 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 1.11 0.00 0.00 1.19 0.00 0.00 61 E 8.59 4.46 0.00 2.13 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 2.33 2.33 0.00 62 N 7.74 4.77 0.00 2.99 2.74 0.00 0.00 6.98 6.93 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 63 T 7.53 3.57 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 64 W 7.10 4.66 0.00 3.31 3.27 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 65 K 8.68 4.02 0.00 2.17 2.04 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.54 7.81 66 L 7.97 4.92 0.00 1.93 2.08 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.71 3.97 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 2.20 2.30 0.00 68 G 9.86 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.91 5.98 0.00 1.98 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 2.06 2.12 0.00 70 L 8.68 4.59 0.00 2.09 1.83 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.86 3.74 0.00 1.43 1.86 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 72 A 8.15 3.96 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 73 E 8.50 3.81 0.00 2.32 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 2.33 2.33 0.00 74 V 7.98 3.58 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 1.04 0.00 0.00 1.09 0.00 0.00 75 A 8.10 4.01 1.31 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 0.00 0.00 0.00 76 A 7.67 3.98 1.37 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 0.00 0.00 77 N 8.94 4.43 0.00 2.88 2.89 0.00 0.00 7.00 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 78 I 7.58 3.73 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.89 0.00 0.00 79 K 8.47 3.90 0.00 1.90 1.99 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 80 R 8.10 3.92 0.00 2.03 2.12 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 81 L 8.00 4.16 0.00 2.00 1.69 0.94 0.80 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 82 M 7.67 4.72 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 83 D 8.37 4.37 0.00 2.84 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 84 I 8.34 3.92 1.88 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 1.24 0.84 0.92 0.00 0.00 85 G 8.33 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 7.50 4.52 0.00 3.21 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 87 Y 8.44 4.12 0.00 2.91 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 88 R 8.07 3.93 0.00 1.79 1.87 0.00 3.30 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 89 G 7.83 4.38 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 0.00 90 L 7.87 4.22 0.00 1.70 1.59 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.52 4.06 0.00 1.68 1.99 0.00 3.07 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 92 H 8.36 4.71 0.00 3.57 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.47 4.08 0.00 1.86 1.97 0.00 3.39 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 94 R 8.00 4.21 0.00 1.76 1.94 0.00 3.38 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 95 G 7.38 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 0.00 0.00 0.00 96 L 8.55 4.75 0.00 1.50 1.52 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.39 0.00 2.19 2.08 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 98 V 8.09 4.12 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 0.66 0.00 0.00 0.71 0.00 0.00 99 R 7.19 4.62 0.00 1.79 1.86 0.00 3.42 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 100 G 8.58 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 0.00 101 Q 7.82 4.48 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.07 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 102 R 8.48 4.06 0.00 1.76 1.89 0.00 3.28 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 103 T 8.30 4.31 4.25 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 1.26 0.00 0.00 104 R 8.05 3.76 0.00 1.80 2.02 0.00 3.19 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 105 T 7.30 4.27 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 1.21 0.00 0.00 106 N 7.65 3.75 0.00 2.75 2.83 0.00 0.00 6.72 7.21 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 0.00 107 A 8.38 4.83 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 0.00 108 R 7.60 3.96 0.00 1.93 2.01 0.00 3.19 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 109 T 7.34 3.87 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 1.21 0.00 0.00 110 R 7.66 4.50 0.00 1.79 1.93 0.00 3.16 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 111 K 7.71 4.32 0.00 1.90 1.69 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.35 7.81 112 G 8.72 3.78 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 0.00 0.00 0.00 113 P 0.00 4.00 0.00 2.33 2.11 0.00 3.95 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 1.88 1.96 0.00 114 R 8.29 4.60 0.00 1.81 1.88 0.00 3.15 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 115 K 8.10 4.44 0.00 1.82 1.71 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 116 T 8.36 3.80 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 1.21 0.00 0.00 117 V 8.35 3.48 2.13 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 0.73 0.00 0.00 0.97 0.00 0.00 118 A 9.10 4.68 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 0.00 119 G 7.77 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.87 4.58 0.00 1.70 1.68 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.36 7.81 121 K 8.15 4.80 0.00 1.70 1.66 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.48 7.81 122 K 8.16 4.53 0.00 1.67 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.35 7.81 123 A 7.25 4.65 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 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.58 0.00 2.05 1.43 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 125 R 8.97 4.04 0.00 1.77 1.86 0.00 3.27 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 *126 K 8.00 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.