NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4392 8.1933 115.2890 58.6102 64.4121 175.9058 7 T 3.7539 7.7516 116.8276 65.3801 67.7483 174.7373 8 K 3.9406 8.1636 120.9162 58.3758 32.4831 178.2692 9 K 3.8397 7.7823 119.7998 59.5477 32.3386 178.7216 10 T 3.8891 7.9079 116.1368 66.4940 68.2746 176.5996 11 Q 3.8988 7.6356 121.0635 59.3165 29.1944 178.3276 12 L 3.9952 7.4746 119.6048 57.7099 41.4859 179.5578 13 Q 4.0833 7.8631 118.0559 58.7885 28.6519 178.4998 14 L 4.0015 7.9269 120.0866 57.7532 41.6421 179.3993 15 E 3.9606 8.4589 118.8505 59.6034 29.4061 178.9095 16 H 4.2747 8.3507 118.3452 59.1168 29.8739 177.1083 17 L 3.8901 8.2633 122.5819 57.9151 41.8841 178.6423 18 L 3.9461 8.0772 120.3270 58.3342 42.0661 179.0499 19 L 4.0144 8.0192 118.8254 57.8071 41.6224 179.3189 20 D 4.3478 8.2136 118.9909 57.3678 40.8716 178.8186 21 L 4.0671 8.1976 119.6933 57.7851 41.6161 179.5620 22 Q 4.0481 8.3718 118.2825 58.7239 28.3294 178.2001 23 M 4.0009 8.0998 119.5025 58.7121 32.4243 178.3942 24 I 3.7040 7.5919 119.4117 64.3072 37.3081 178.1184 25 L 3.9322 7.7316 120.6995 58.2271 41.6501 178.5333 26 N 4.3608 8.0782 116.0887 56.6345 39.2034 176.8351 27 G 3.5314 7.7635 106.9720 47.6354 0.0000 175.8663 28 I 3.2257 7.4437 121.7108 63.9983 36.8817 178.1681 29 N 4.4281 7.8533 116.2320 55.5254 38.4247 176.1822 30 N 4.4865 7.2519 115.5126 54.0594 39.5984 174.7400 31 Y 4.5621 6.9898 117.7180 58.5121 38.5601 175.3515 32 K 4.4578 8.2924 122.0546 55.1554 35.1172 180.2156 33 N 3.3963 7.9209 113.3168 53.4394 40.6273 175.3877 34 P 4.2484 0.0000 0.0000 65.9877 32.3202 178.1216 35 K 3.8694 7.9321 118.0215 59.1919 31.9011 178.4912 36 L 4.0521 7.7121 120.8614 58.4967 41.8481 179.1111 37 T 3.9161 7.4092 113.7941 66.6029 68.7857 176.4622 38 R 4.0463 8.0350 120.6600 59.3530 29.9561 178.0928 39 M 4.2583 7.9722 117.9460 57.9346 32.0851 177.3963 40 L 4.4212 7.5430 117.2957 56.0965 42.0164 178.4366 41 T 4.1755 7.4480 109.0824 62.7586 69.1449 174.7644 42 F 3.8960 7.6034 125.0626 57.9508 39.8088 174.2162 43 K 4.8597 7.7289 127.0643 55.0679 34.0659 175.7347 44 F 4.7590 9.0592 120.8667 55.9150 43.3867 173.6739 45 Y 4.9952 9.4222 119.6177 57.7166 39.0461 175.0058 46 M 5.2716 8.7687 121.6522 52.6781 35.9494 173.3957 47 P 4.7056 0.0000 0.0000 62.9928 31.8038 176.6412 48 K 4.2536 8.6681 122.2693 59.0827 32.7272 178.1767 49 K 4.3473 7.7881 117.6820 54.7494 35.7209 175.6808 50 A 4.4627 8.4121 126.6596 50.3310 19.2707 174.8640 51 T 4.7376 8.4805 108.6188 61.3197 71.1125 173.9135 52 E 4.8447 8.2904 121.5995 53.6074 32.7036 176.2589 53 L 4.3153 8.3172 121.2263 57.3911 41.7283 179.3148 54 K 3.9732 7.8051 118.6949 58.6145 32.0487 177.3530 55 H 4.7371 7.7551 114.8272 56.7717 28.7896 176.4070 56 L 3.9548 7.7438 121.5490 56.1367 41.4870 178.5594 57 Q 4.0254 7.8068 119.4299 59.2843 28.7490 177.3452 58 C 4.6337 7.9665 117.2358 59.8177 36.0076 175.4319 59 L 3.8168 7.4369 121.6672 57.5743 41.4300 178.1985 60 E 3.9176 8.0791 119.4023 59.6087 29.3994 178.8978 61 E 4.1415 8.2451 116.7404 58.6932 29.8916 178.1176 62 E 4.6424 7.8863 117.4225 56.5219 29.7776 177.8490 63 L 4.2573 7.8468 122.1894 57.3220 41.6562 179.1786 64 K 3.9483 8.1096 118.4153 59.1572 32.1130 177.1589 65 P 4.5697 0.0000 0.0000 64.9427 31.1171 178.4394 66 L 4.1928 8.0571 118.8008 58.2024 42.0133 178.7048 67 E 3.9491 8.3011 119.3325 59.1086 29.1216 178.5492 68 E 3.9307 8.0731 118.9477 59.5494 29.4899 179.8607 69 V 3.2718 7.1827 118.9730 64.5218 31.1093 178.3964 70 L 4.0340 7.4099 118.9702 57.5269 41.5179 178.8647 71 N 4.8757 7.8729 117.0041 55.3317 38.5092 176.9267 72 L 4.2214 7.4099 119.3938 56.4536 41.9346 177.9175 73 A 4.3938 7.3882 118.9637 52.2388 19.4518 177.3789 74 Q 4.4353 8.1381 119.7206 56.7939 29.3074 176.9067 *81 R 4.1710 8.3911 117.0303 57.4262 31.6040 172.6196 82 P 4.5477 0.0000 0.0000 64.6307 31.5704 179.3262 83 R 3.9618 7.9069 116.8865 59.1890 29.9224 178.5185 84 D 4.4598 7.9629 118.2515 56.9780 41.0769 178.4967 85 L 3.9787 7.7746 120.3680 58.2863 42.1219 179.1185 86 I 3.7889 7.5438 120.1527 64.2998 36.6749 178.6153 87 S 4.2078 7.7677 114.1122 61.4069 62.5499 176.2795 88 N 4.4951 7.9845 120.2063 55.9410 38.2555 177.5143 89 I 3.7045 7.8497 121.4910 64.0232 37.1349 177.6913 90 N 4.2213 8.5340 118.5542 56.8216 38.7399 177.0586 91 V 3.5790 7.4515 118.0811 65.9452 31.7465 177.9239 92 I 3.6804 7.4099 119.4343 64.5885 36.7746 178.6400 93 V 3.5961 7.9963 119.1132 65.9268 31.0899 178.0608 94 L 4.0160 7.7474 117.9877 57.8439 41.5216 179.0448 95 E 4.1369 8.1008 117.7105 59.2627 29.4556 179.0509 96 L 4.1550 7.7926 118.4614 58.6154 42.1941 178.0115 97 K 4.3760 7.6931 120.9137 55.1520 35.7159 175.2325 *103 F 4.3467 8.0624 119.8350 58.5210 40.2505 174.9397 104 M 3.9366 7.4476 127.2490 53.8578 31.7434 175.7877 105 C 4.2959 8.2022 127.1890 56.1723 42.3752 172.1822 106 E 4.4181 8.4346 126.4387 55.2493 30.8059 175.0370 107 Y 5.1195 8.2284 121.8184 57.0465 39.3802 175.3665 108 A 4.3066 9.1729 124.3162 51.7876 18.8935 177.8700 109 D 4.4569 8.8516 119.3356 56.8971 41.2449 177.2811 110 E 4.4868 7.9856 117.9467 55.3954 30.6909 175.9014 111 T 4.7521 8.2780 112.9566 61.1157 70.7554 173.4576 112 A 5.0105 8.9436 123.2844 50.3508 23.2067 175.8749 113 T 4.7755 8.4928 109.5932 61.0354 70.6102 175.4458 114 I 3.3631 8.8384 121.5828 64.5410 37.8300 177.9960 115 V 3.6685 7.7872 118.3866 65.9358 31.3305 177.5038 116 E 3.9994 7.9154 118.9133 58.9474 29.3298 178.6118 117 F 4.1791 8.4686 121.2645 61.1714 39.3706 177.2612 118 L 3.8415 8.4066 119.0825 57.8277 41.4446 179.1637 119 N 4.2859 8.0465 116.3555 56.3738 38.4714 177.4370 120 R 3.8019 7.6332 120.0911 59.0490 30.0272 178.4775 121 W 4.5655 7.4656 118.0931 59.1732 29.1634 178.8110 122 I 3.7769 8.0876 120.2789 64.7580 36.4759 178.5667 123 T 3.8891 8.3877 117.0283 66.4592 68.0943 176.5430 124 F 4.2164 8.3176 122.6387 61.5941 39.3248 177.0451 125 C 3.9063 8.4592 116.4172 62.8779 27.8988 176.1426 126 Q 3.9848 8.0497 119.6257 58.8444 27.9840 178.8323 127 S 4.0501 7.5586 113.3992 61.3568 62.4891 175.9823 128 I 3.7643 7.2715 122.5432 64.1534 35.6065 178.4786 129 I 3.7916 7.4990 121.0555 64.1610 36.6867 178.3714 130 S 4.3454 7.4861 113.5866 60.7452 63.0583 175.7930 131 T 3.9949 7.3609 111.8087 63.8151 68.9833 174.4638 132 L 4.2264 7.1612 123.1952 55.3699 40.6765 175.9997 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 6 S 8.19 4.44 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 7 T 7.75 3.75 4.23 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 1.20 0.00 0.00 8 K 8.16 3.94 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.48 7.81 9 K 7.78 3.84 0.00 1.86 1.77 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.52 7.81 10 T 7.91 3.89 4.23 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 1.20 0.00 0.00 11 Q 7.64 3.90 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 12 L 7.47 4.00 0.00 1.58 1.69 0.96 0.89 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 13 Q 7.86 4.08 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 14 L 7.93 4.00 0.00 1.97 1.68 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.46 3.96 0.00 2.24 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 0.00 2.32 2.40 0.00 16 H 8.35 4.27 0.00 3.34 3.44 0.00 5.61 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 17 L 8.26 3.89 0.00 1.85 1.86 0.86 0.61 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 18 L 8.08 3.95 0.00 1.87 1.90 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.02 4.01 0.00 1.92 1.72 0.96 0.87 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 20 D 8.21 4.35 0.00 2.96 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 21 L 8.20 4.07 0.00 1.84 1.72 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.37 4.05 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 23 M 8.10 4.00 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 24 I 7.59 3.70 2.01 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 1.42 1.04 0.93 0.00 0.00 25 L 7.73 3.93 0.00 1.87 1.81 0.94 0.44 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 26 N 8.08 4.36 0.00 2.86 2.90 0.00 0.00 7.23 7.27 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 27 G 7.76 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.44 3.23 1.94 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 1.65 1.11 0.94 0.00 0.00 29 N 7.85 4.43 0.00 2.79 2.85 0.00 0.00 6.99 8.08 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 30 N 7.25 4.49 0.00 2.67 2.67 0.00 0.00 7.21 7.42 0.00 0.00 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 Y 6.99 4.56 0.00 3.13 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 32 K 8.29 4.46 0.00 1.84 1.73 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.46 7.81 33 N 7.92 3.40 0.00 2.83 2.96 0.00 0.00 6.82 8.03 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 34 P 0.00 4.25 0.00 2.13 2.07 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 35 K 7.93 3.87 0.00 1.69 1.61 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.66 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.83 1.22 7.81 36 L 7.71 4.05 0.00 1.87 1.70 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.41 3.92 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 1.23 0.00 0.00 38 R 8.03 4.05 0.00 2.05 1.90 0.00 3.24 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 39 M 7.97 4.26 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 40 L 7.54 4.42 0.00 1.69 1.76 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.45 4.18 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 1.23 0.00 0.00 42 F 7.60 3.90 0.00 3.06 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 43 K 7.73 4.86 0.00 1.35 1.38 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.45 7.81 44 F 9.06 4.76 0.00 3.03 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 45 Y 9.42 5.00 0.00 2.66 2.18 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 46 M 8.77 5.27 0.00 1.95 2.05 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 2.69 2.67 0.00 47 P 0.00 4.71 0.00 1.93 2.12 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 0.00 48 K 8.67 4.25 0.00 1.68 1.90 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.57 1.64 7.81 49 K 7.79 4.35 0.00 1.58 1.59 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.41 7.81 50 A 8.41 4.46 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 51 T 8.48 4.74 4.32 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 1.26 0.00 0.00 52 E 8.29 4.84 0.00 1.99 1.63 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 2.18 2.26 0.00 53 L 8.32 4.32 0.00 1.73 1.73 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.81 3.97 0.00 1.48 0.96 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.15 1.37 7.81 55 H 7.76 4.74 0.00 3.36 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.74 3.95 0.00 1.80 1.62 1.12 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.81 4.03 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.80 0.00 0.00 0.00 0.00 0.00 2.73 2.47 0.00 58 C 7.97 4.63 0.00 3.56 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 59 L 7.44 3.82 0.00 0.27 0.92 0.17 0.29 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 60 E 8.08 3.92 0.00 2.16 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 2.33 2.44 0.00 61 E 8.25 4.14 0.00 2.34 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 0.00 2.48 2.45 0.00 62 E 7.89 4.64 0.00 2.35 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 2.60 3.08 0.00 63 L 7.85 4.26 0.00 1.81 1.75 0.95 0.71 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 64 K 8.11 3.95 0.00 1.80 1.88 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.51 7.81 65 P 0.00 4.57 0.00 1.96 1.95 0.00 3.97 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.95 0.00 66 L 8.06 4.19 0.00 2.16 1.98 1.00 0.76 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 67 E 8.30 3.95 0.00 2.29 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 2.31 2.50 0.00 68 E 8.07 3.93 0.00 2.35 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 0.00 2.38 2.48 0.00 69 V 7.18 3.27 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 0.79 0.00 0.00 0.61 0.00 0.00 70 L 7.41 4.03 0.00 1.57 1.78 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.87 4.88 0.00 2.95 2.87 0.00 0.00 6.99 7.91 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 72 L 7.41 4.22 0.00 1.71 1.71 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.39 4.39 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 74 Q 8.14 4.44 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.62 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 *81 R 8.39 4.17 0.00 1.87 1.90 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 82 P 0.00 4.55 0.00 2.15 2.13 0.00 3.57 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 2.34 2.18 0.00 83 R 7.91 3.96 0.00 1.82 1.98 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 84 D 7.96 4.46 0.00 2.69 2.71 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 85 L 7.77 3.98 0.00 1.78 1.66 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.54 3.79 1.98 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 1.79 0.79 0.98 0.00 0.00 87 S 7.77 4.21 0.00 4.15 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 0.00 88 N 7.98 4.50 0.00 2.97 2.90 0.00 0.00 6.92 7.22 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 89 I 7.85 3.70 1.97 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 1.35 0.68 0.87 0.00 0.00 90 N 8.53 4.22 0.00 2.86 3.03 0.00 0.00 6.80 7.25 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 91 V 7.45 3.58 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 0.98 0.00 0.00 1.01 0.00 0.00 92 I 7.41 3.68 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.93 0.00 0.00 93 V 8.00 3.60 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 0.94 0.00 0.00 0.91 0.00 0.00 94 L 7.75 4.02 0.00 1.89 1.72 0.99 0.99 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 95 E 8.10 4.14 0.00 2.16 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 2.35 2.50 0.00 96 L 7.79 4.16 0.00 1.81 1.75 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.69 4.38 0.00 1.87 1.89 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.57 7.81 *103 F 8.06 4.35 0.00 2.98 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 0.00 104 M 7.45 3.94 0.00 1.63 1.71 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 105 C 8.20 4.30 0.00 3.06 2.81 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 0.00 106 E 8.43 4.42 0.00 1.87 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 0.00 2.27 2.20 0.00 107 Y 8.23 5.12 0.00 2.70 2.70 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 0.00 108 A 9.17 4.31 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 0.00 109 D 8.85 4.46 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 0.00 110 E 7.99 4.49 0.00 2.00 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 2.30 2.26 0.00 111 T 8.28 4.75 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 1.12 0.00 0.00 112 A 8.94 5.01 1.43 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 0.00 0.00 0.00 113 T 8.49 4.78 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 1.33 0.00 0.00 114 I 8.84 3.36 2.03 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 1.56 1.38 1.02 0.00 0.00 115 V 7.79 3.67 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 0.99 0.00 0.00 0.99 0.00 0.00 116 E 7.92 4.00 0.00 2.14 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 0.00 2.33 2.32 0.00 117 F 8.47 4.18 0.00 3.04 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 0.00 118 L 8.41 3.84 0.00 1.70 1.69 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.05 4.29 0.00 2.95 2.84 0.00 0.00 6.69 7.64 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 0.00 120 R 7.63 3.80 0.00 1.75 1.26 0.00 2.78 0.00 0.00 2.60 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 121 W 7.47 4.57 0.00 3.34 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 0.00 122 I 8.09 3.78 2.08 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 1.54 0.85 0.92 0.00 0.00 123 T 8.39 3.89 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 1.20 0.00 0.00 124 F 8.32 4.22 0.00 3.10 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.46 3.91 0.00 3.25 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 0.00 126 Q 8.05 3.98 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 127 S 7.56 4.05 0.00 3.79 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 0.00 128 I 7.27 3.76 1.55 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.41 0.78 0.00 0.00 129 I 7.50 3.79 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 0.88 0.00 0.00 130 S 7.49 4.35 0.00 4.13 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 0.00 131 T 7.36 3.99 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 1.26 0.00 0.00 132 L 7.16 4.23 0.00 1.71 1.66 0.90 0.84 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 * Residues marked with a * may have inaccurate shift predictions.