NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.1582 8.2300 117.5312 52.3579 38.9237 174.6138 2 I 3.6128 7.8782 117.3074 63.5924 37.4680 176.3712 3 K 3.8321 8.7276 120.5043 59.5246 32.2717 178.6857 4 Q 3.9869 8.3607 118.3027 58.5948 28.4648 178.4906 5 F 4.3392 8.3454 122.0292 61.2617 39.2313 176.7218 6 N 3.9213 8.2316 115.4422 56.6409 38.4771 176.8123 7 N 4.5594 7.8795 117.5883 56.2796 38.6443 177.2726 8 M 4.1210 8.1509 120.5089 58.6063 32.0581 178.5211 9 I 3.6165 7.6208 119.7754 64.8343 37.2260 178.3736 10 E 4.2520 7.9959 118.7742 59.0742 29.1823 178.6386 11 C 4.3159 8.1331 119.2781 59.8788 43.5678 175.4695 12 T 4.0246 7.8497 108.8643 62.7130 68.9427 174.8743 13 V 4.5197 7.9137 120.6221 60.2978 31.3648 173.8460 14 P 4.7908 0.0000 0.0000 64.7550 32.1571 178.0899 15 A 3.9521 7.4936 118.5879 54.0764 18.3660 176.9462 *17 R 4.7900 7.8195 113.3568 56.0649 31.4694 174.1306 18 S 5.0110 8.1090 112.3536 55.5635 65.9666 175.2112 19 W 4.5424 8.9973 118.3175 59.7190 27.6170 178.1907 20 W 3.5222 6.8688 118.6640 59.4124 28.0982 177.8868 21 D 4.3291 7.8141 117.6509 56.0785 40.1995 177.4578 22 F 4.8081 8.1180 116.1862 57.4282 39.9211 177.0972 23 A 4.4010 7.8939 121.1582 54.0981 19.4310 176.7216 24 D 4.9942 8.0633 114.8494 53.0048 41.2373 173.3980 25 Y 4.8993 8.2156 120.3057 56.4510 42.4241 176.6671 26 G 3.6766 8.1857 115.8312 46.9342 0.0000 173.6605 27 C 4.7776 9.8093 122.6240 56.9219 36.6957 174.1197 28 Y 4.5043 8.2500 117.0763 59.8524 44.1501 172.9364 29 C 4.6262 8.6777 124.1141 57.7193 40.0384 173.9212 30 G 4.2904 7.8826 119.4064 46.4494 0.0000 170.5984 31 S 4.5362 8.1578 115.2808 57.6478 65.3348 177.0557 *33 G 3.7017 8.9933 104.2188 44.1954 0.0000 171.9559 34 S 4.9076 6.7712 124.4875 59.1712 66.2612 178.5931 35 G 3.7947 8.2575 112.9766 45.8352 0.0000 171.6073 36 S 4.7219 8.4008 114.4598 55.8628 63.4584 173.2022 37 P 4.7167 0.0000 0.0000 63.7927 31.7415 176.1341 38 T 4.3186 8.8000 117.2714 65.5873 69.1384 174.1297 39 D 4.6218 7.5081 118.0850 51.8568 41.8026 174.8401 40 D 4.3884 8.9524 117.9492 57.9282 40.6614 178.1571 41 L 3.9754 8.0596 120.0877 58.4980 41.8714 178.3520 42 D 4.6814 9.2437 116.1092 56.5028 41.3698 177.5220 43 R 4.0910 7.5813 118.2636 59.3742 30.3898 177.0620 44 C 4.0842 8.3994 116.6687 60.7695 38.8279 175.8235 45 C 4.4348 8.3552 117.3984 59.7094 39.2857 175.8777 46 Q 3.5211 7.9514 121.6029 59.3892 28.6205 178.6237 47 T 3.9203 7.6910 109.8438 64.3699 68.8660 175.9238 48 H 3.8803 7.7720 121.2871 59.2917 29.8277 176.8402 49 D 4.1397 7.9123 120.6063 57.3655 40.6482 178.4915 50 N 4.2844 8.0090 116.9014 56.4115 38.5354 176.3898 51 C 4.1502 8.4859 120.0626 60.0869 42.7247 175.2016 52 Y 4.3949 8.0295 118.3375 61.2776 37.2170 179.0198 53 G 3.6593 8.3203 105.6151 47.7706 0.0000 175.2522 54 A 4.2750 8.2148 123.1450 54.8629 18.3857 179.9813 55 G 3.6485 8.3806 104.5301 47.6265 0.0000 176.2693 56 G 3.7512 8.3728 107.7597 47.4375 0.0000 175.6996 57 G 3.8712 7.5170 106.4030 45.7380 0.0000 173.5527 58 S 4.2966 8.1796 117.5798 58.0345 62.4553 173.0430 59 T 3.7889 8.4237 123.7317 64.6812 68.6304 173.7025 60 G 3.8512 8.7174 112.1985 46.1780 0.0000 173.3858 61 C 4.3602 8.2499 119.8927 55.2936 40.4720 173.1394 62 A 4.4235 8.0698 130.1635 49.1755 19.1287 174.1989 63 P 3.7504 0.0000 0.0000 66.4912 31.6803 179.2425 64 K 3.9114 7.6367 116.7592 58.5378 32.2105 178.3907 65 S 4.4327 7.4795 110.5760 57.9679 64.3487 173.7490 66 R 3.9079 8.2148 121.4692 56.3061 29.9018 175.6711 67 T 4.0821 8.3837 123.1662 62.8380 68.9507 173.8561 68 Y 4.7812 7.7010 124.9084 55.5449 40.7201 174.8171 69 T 4.8354 9.7942 117.1804 62.2596 70.2327 173.6389 70 Y 5.3720 8.7501 123.6081 55.4535 42.0808 174.0531 71 Q 4.2489 9.3581 119.3919 54.5585 33.0539 172.2266 72 C 5.4165 8.6300 124.7749 54.8870 42.2259 173.2100 73 S 4.2795 9.0564 120.4421 56.9448 63.8779 172.7239 74 Q 3.2657 9.7445 130.6148 56.9972 26.6798 174.3222 75 G 4.4687 8.0813 104.0591 45.4285 0.0000 171.5186 76 T 4.5219 7.6006 115.0976 60.0751 69.1425 172.8637 77 L 5.1873 8.3177 128.2120 54.2790 43.8492 176.2989 78 T 4.6440 8.7524 117.8539 62.5583 72.9866 172.2945 79 C 5.0177 8.8154 124.1013 56.1247 41.5708 173.9561 80 S 4.4853 9.2115 120.1057 57.7092 63.5487 174.9752 81 G 3.6822 8.7075 110.2517 48.7068 0.0000 175.7001 82 E 4.0384 8.1351 113.3214 57.0688 29.2675 176.2696 83 N 4.6265 7.9548 118.2538 52.8455 39.4689 176.0016 84 S 4.3385 8.5561 117.4740 57.9398 65.1268 174.9183 85 A 4.0079 8.6536 124.3775 55.9167 17.9064 180.7352 86 C 4.1901 8.1198 115.8318 59.5958 42.1335 175.4386 87 A 4.0224 7.7694 121.7962 55.2101 18.0685 179.2481 88 A 3.8813 8.4259 119.6634 55.7164 18.3351 180.0702 89 T 3.7678 7.6407 114.0147 67.0541 68.5916 176.9870 90 T 3.8889 7.8827 117.5076 66.8487 68.4682 175.4194 91 C 3.0193 8.5574 120.5266 59.5995 44.3883 175.0723 92 D 4.1348 7.9310 119.1178 57.5420 40.7480 177.2591 93 C 3.9959 8.1908 116.9701 60.4757 38.2760 176.0532 94 D 3.8989 8.0315 120.0960 57.3168 40.3517 179.2447 95 R 3.9932 8.0656 116.6608 59.1123 29.4237 178.9098 96 L 3.8582 8.0810 119.7693 57.2294 41.4618 179.3046 97 A 3.4354 7.7743 120.6173 54.8431 18.3200 179.3944 98 A 3.6698 8.0820 119.6967 55.4844 17.9776 179.9959 99 I 3.6663 7.8772 118.4641 64.5688 36.9987 177.9073 100 C 4.3477 8.0888 119.4835 59.3921 43.1556 175.7003 101 F 4.4150 7.8210 119.0322 60.4559 38.5278 177.1503 102 A 4.3255 7.8554 119.2170 55.0690 18.2422 179.4778 103 G 3.7213 7.7157 101.6688 46.0594 0.0000 174.3963 104 A 4.3738 7.0999 122.8374 51.0025 19.2796 175.3430 105 P 4.5179 0.0000 0.0000 62.3032 32.2339 175.5182 106 Y 4.2986 8.5473 122.9249 55.8844 39.8205 174.2785 107 N 4.9759 8.5905 126.4184 51.7312 40.1911 174.7997 108 D 4.6387 9.0417 126.7560 57.9555 41.1549 179.2468 109 T 3.9492 8.1110 114.7776 65.9715 68.7261 174.6904 110 N 4.5773 8.2064 118.2708 52.6711 38.6882 173.2106 111 Y 4.5256 7.3823 119.1177 56.7194 40.5770 174.6987 112 N 4.5634 7.8767 122.9617 53.7734 37.9300 174.3507 113 I 3.7963 7.3167 108.2773 59.8035 38.7687 175.4863 114 D 4.4726 8.3095 121.7914 53.4488 40.1761 176.5675 115 L 3.9126 8.3928 127.7278 57.5489 41.8133 179.5152 116 K 4.0850 7.6655 116.5872 57.9267 32.0368 176.7937 117 S 4.6964 7.9111 110.0576 58.4791 64.3577 174.6520 118 R 4.5747 7.8565 116.7527 55.9533 31.7207 176.2473 119 C 4.9369 8.3316 115.4057 56.5714 41.0528 174.1910 120 Q 4.1364 8.0982 124.5852 56.3089 28.3049 176.0830 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 N 8.23 5.16 0.00 3.01 2.94 0.00 0.00 5.76 6.85 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 2 I 7.88 3.61 1.90 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.86 0.00 0.00 3 K 8.73 3.83 0.00 1.98 1.77 0.00 1.45 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.52 7.81 4 Q 8.36 3.99 0.00 1.83 1.75 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 2.38 2.38 0.00 5 F 8.35 4.34 0.00 3.07 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 6 N 8.23 3.92 0.00 2.56 2.50 0.00 0.00 7.12 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 7 N 7.88 4.56 0.00 2.95 3.01 0.00 0.00 7.06 7.55 0.00 0.00 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 M 8.15 4.12 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 9 I 7.62 3.62 2.05 0.00 0.00 0.50 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 -0.06 1.08 0.00 0.00 10 E 8.00 4.25 0.00 2.12 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 2.46 2.49 0.00 11 C 8.13 4.32 0.00 3.12 3.36 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 12 T 7.85 4.02 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 1.26 0.00 0.00 13 V 7.91 4.52 2.33 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 1.10 0.00 0.00 1.06 0.00 0.00 14 P 0.00 4.79 0.00 2.10 2.14 0.00 3.82 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.43 0.00 15 A 7.49 3.95 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 *17 R 7.82 4.79 0.00 1.86 1.92 0.00 3.09 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.00 18 S 8.11 5.01 0.00 4.11 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 19 W 9.00 4.54 0.00 3.56 3.28 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 20 W 6.87 3.52 0.00 3.13 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 21 D 7.81 4.33 0.00 1.98 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 0.00 0.00 0.00 0.00 22 F 8.12 4.81 0.00 3.10 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 23 A 7.89 4.40 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 24 D 8.06 4.99 0.00 2.69 2.31 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 25 Y 8.22 4.90 0.00 3.24 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 26 G 8.19 3.68 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 0.00 0.00 0.00 27 C 9.81 4.78 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.25 4.50 0.00 3.18 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 29 C 8.68 4.63 0.00 3.37 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.88 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 0.00 0.00 0.00 0.00 31 S 8.16 4.54 0.00 3.78 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 *33 G 8.99 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 0.00 0.00 0.00 34 S 6.77 4.91 0.00 3.71 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 35 G 8.26 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 36 S 8.40 4.72 0.00 3.88 3.82 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 37 P 0.00 4.72 0.00 2.11 2.02 0.00 3.80 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 38 T 8.80 4.32 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 1.22 0.00 0.00 39 D 7.51 4.62 0.00 2.94 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 40 D 8.95 4.39 0.00 2.76 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 41 L 8.06 3.98 0.00 1.80 1.81 0.70 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.24 4.68 0.00 3.05 2.96 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 43 R 7.58 4.09 0.00 2.27 1.93 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 44 C 8.40 4.08 0.00 3.57 3.19 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 45 C 8.36 4.43 0.00 3.13 3.35 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 0.00 46 Q 7.95 3.52 0.00 1.35 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.11 1.79 0.00 47 T 7.69 3.92 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 1.15 0.00 0.00 48 H 7.77 3.88 0.00 3.08 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.91 4.14 0.00 2.90 2.74 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 50 N 8.01 4.28 0.00 2.86 2.83 0.00 0.00 6.67 7.33 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 51 C 8.49 4.15 0.00 3.00 3.10 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 0.00 52 Y 8.03 4.39 0.00 3.09 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 53 G 8.32 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 0.00 0.00 0.00 54 A 8.21 4.27 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 55 G 8.38 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 0.00 0.00 0.00 56 G 8.37 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.52 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 0.00 0.00 0.00 58 S 8.18 4.30 0.00 3.83 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 59 T 8.42 3.79 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 60 G 8.72 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 0.00 0.00 0.00 61 C 8.25 4.36 0.00 3.02 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 62 A 8.07 4.42 1.17 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 0.00 0.00 0.00 63 P 0.00 3.75 0.00 1.03 0.49 0.00 3.36 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 1.71 1.80 0.00 64 K 7.64 3.91 0.00 1.76 1.81 0.00 1.22 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 65 S 7.48 4.43 0.00 3.71 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 66 R 8.21 3.91 0.00 1.88 1.83 0.00 3.49 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 67 T 8.38 4.08 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 68 Y 7.70 4.78 0.00 3.12 3.01 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 69 T 9.79 4.84 4.47 0.00 0.00 0.00 0.00 0.00 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 70 Y 8.75 5.37 0.00 3.07 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 71 Q 9.36 4.25 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 72 C 8.63 5.42 0.00 3.12 2.94 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 73 S 9.06 4.28 0.00 3.80 3.68 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 74 Q 9.74 3.27 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 75 G 8.08 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.60 4.52 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 1.37 0.00 0.00 77 L 8.32 5.19 0.00 1.59 1.64 0.94 1.11 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 78 T 8.75 4.64 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 1.22 0.00 0.00 79 C 8.82 5.02 0.00 2.81 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 80 S 9.21 4.49 0.00 3.84 3.82 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 81 G 8.71 3.68 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 0.00 0.00 0.00 82 E 8.14 4.04 0.00 2.08 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 2.30 2.42 0.00 83 N 7.95 4.63 0.00 2.78 2.92 0.00 0.00 6.91 7.20 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 84 S 8.56 4.34 0.00 4.05 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 85 A 8.65 4.01 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 0.00 0.00 0.00 0.00 0.00 86 C 8.12 4.19 0.00 2.99 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 87 A 7.77 4.02 1.48 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 88 A 8.43 3.88 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 89 T 7.64 3.77 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 90 T 7.88 3.89 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 91 C 8.56 3.02 0.00 2.45 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 92 D 7.93 4.13 0.00 2.93 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 93 C 8.19 4.00 0.00 3.28 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 94 D 8.03 3.90 0.00 2.69 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 95 R 8.07 3.99 0.00 1.98 2.11 0.00 2.73 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 1.67 0.00 96 L 8.08 3.86 0.00 1.73 1.63 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.77 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.08 3.67 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 99 I 7.88 3.67 1.95 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 1.38 1.23 0.88 0.00 0.00 100 C 8.09 4.35 0.00 3.00 2.96 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 0.00 101 F 7.82 4.41 0.00 2.92 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 4.33 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 0.00 0.00 0.00 0.00 0.00 103 G 7.72 3.72 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 0.00 0.00 0.00 104 A 7.10 4.37 1.35 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 0.00 0.00 0.00 105 P 0.00 4.52 0.00 2.13 2.05 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 106 Y 8.55 4.30 0.00 2.93 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 0.00 107 N 8.59 4.98 0.00 2.89 2.72 0.00 0.00 6.75 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 0.00 108 D 9.04 4.64 0.00 2.82 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 0.00 109 T 8.11 3.95 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 110 N 8.21 4.58 0.00 2.13 2.11 0.00 0.00 6.31 8.07 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 0.00 111 Y 7.38 4.53 0.00 3.01 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 0.00 112 N 7.88 4.56 0.00 2.08 2.69 0.00 0.00 7.18 7.51 0.00 0.00 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 I 7.32 3.80 1.77 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 1.13 0.59 0.75 0.00 0.00 114 D 8.31 4.47 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.39 3.91 0.00 1.69 1.64 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.67 4.08 0.00 1.73 2.02 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.37 7.81 117 S 7.91 4.70 0.00 3.97 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 0.00 118 R 7.86 4.57 0.00 1.72 1.91 0.00 3.28 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 119 C 8.33 4.94 0.00 2.92 3.06 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 0.00 0.00 0.00 0.00 120 Q 8.10 4.14 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.