NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3404 8.2649 123.5752 52.4964 19.4853 177.8378 3 Q 4.2288 8.3102 125.5621 54.5292 30.2839 173.4152 4 Q 3.2199 7.0886 116.1805 61.3187 28.3482 175.3776 5 S 3.4373 6.3735 118.7412 59.2320 61.5601 173.7698 6 P 3.8892 0.0000 0.0000 64.7738 31.7458 176.4115 7 Y 3.9274 6.7593 113.3475 58.6086 36.4546 171.9194 8 S 4.4729 7.6620 116.9242 56.7636 62.9147 174.6039 9 A 3.9406 8.7621 129.4459 54.5508 17.6320 177.4499 10 A 3.8857 7.5047 117.1017 55.2079 18.7497 177.6014 11 M 4.7208 8.3223 110.9954 54.7448 33.1479 177.6422 12 A 4.2703 7.8339 119.6717 53.3101 18.9593 180.0903 13 E 4.2383 8.0923 116.4334 58.8660 29.8086 178.7086 14 Q 4.0093 7.9702 119.3577 59.0771 28.7716 177.9119 15 R 4.2097 8.0313 115.6081 58.5193 29.3260 176.9484 16 H 4.9447 8.9474 119.5660 58.5520 30.5666 176.4287 17 E 4.1107 8.1582 119.4847 58.9102 29.2468 178.8363 18 E 4.1031 7.9343 118.2939 58.7768 29.5188 178.8270 19 W 4.3691 7.8013 129.0598 60.5427 30.7994 178.1389 20 L 3.5700 8.0449 118.9501 57.4207 40.9751 179.4427 21 R 3.8111 7.6553 118.9862 59.0980 29.8837 178.4137 22 F 3.9960 7.8115 120.2985 61.1729 39.4543 177.0823 23 V 2.9939 7.2877 118.0400 66.0841 31.1628 177.7830 24 D 4.1811 7.9286 118.3977 57.1061 40.5965 178.4376 25 L 3.8146 7.7090 120.8502 58.0556 41.9782 178.7977 26 L 3.6499 7.5647 120.4669 57.6420 41.5944 178.6393 27 K 3.8831 7.6501 119.6017 59.7948 32.1114 178.4653 28 N 4.3059 8.0484 116.2028 56.1309 38.4180 176.9847 29 A 3.9476 7.9808 122.3090 55.7206 18.2697 179.2898 30 Y 3.9585 8.2044 115.1561 61.4123 37.6835 179.0197 31 Q 4.1025 7.7798 117.6940 58.0370 28.8971 177.2744 32 N 4.7498 7.9131 114.9477 52.1818 39.0140 174.7214 33 D 4.6020 7.6364 119.0780 55.5406 39.1077 174.1951 34 L 4.6251 7.8698 117.1060 54.8130 42.2680 178.4357 35 H 3.9407 7.8970 118.2956 58.4608 28.3171 176.9203 36 L 3.8562 7.2890 122.8746 57.4068 42.0346 177.1864 37 P 4.3012 0.0000 0.0000 65.4700 31.2322 178.0397 38 L 3.9601 7.7311 120.1576 58.0356 42.0991 178.7663 39 L 4.3550 8.2954 118.9076 57.3043 41.3462 178.9563 40 N 4.4669 7.8806 116.0879 55.5839 38.5625 176.8689 41 L 4.1509 7.6038 121.3356 58.3294 42.3907 178.4653 42 M 4.2596 8.4802 117.7606 56.2417 32.2514 176.4603 43 L 4.8823 7.1188 117.4303 53.0094 44.7378 176.5653 44 T 4.4289 8.7871 112.1912 60.1883 71.6610 174.2024 45 P 4.2608 0.0000 0.0000 65.8690 31.2841 178.4888 46 D 4.3600 8.0447 116.3316 57.2791 41.1956 178.0558 47 E 3.9959 7.9864 119.0385 59.2884 29.5232 179.3693 48 R 3.9708 7.8907 117.7497 59.3398 30.1675 178.9801 49 E 3.9365 8.1646 117.8856 59.4259 29.4986 179.1237 50 A 4.0306 8.0090 120.7537 55.4021 18.5153 179.7266 51 L 4.1230 8.2031 117.4737 57.5856 41.4927 179.9185 52 G 3.6514 7.9755 105.7243 48.2717 0.0000 175.7331 53 T 3.9203 7.9043 118.8822 66.4088 68.3916 176.9320 54 R 3.9655 8.0977 119.8278 59.2562 29.9646 179.5737 55 V 3.6552 7.7931 111.9525 64.2900 31.4329 178.7696 56 R 4.0706 7.7540 117.9012 59.3276 29.8995 178.9762 57 I 3.6777 7.8401 119.4840 64.5122 37.1557 178.5918 58 V 3.5695 7.9865 118.9966 65.9180 31.2748 177.4660 59 E 3.8525 8.4842 119.2775 59.6218 29.4746 178.7527 60 E 3.9557 8.5140 118.7353 59.1666 29.2117 179.5520 61 L 3.9662 7.8999 118.5593 57.8744 41.8340 179.1360 62 L 4.1227 7.6480 117.5206 57.7905 41.3867 179.2376 63 R 4.0517 8.3747 119.0325 57.4690 29.7810 177.2688 64 G 4.5330 7.9101 105.2599 46.4900 0.0000 173.1950 65 E 4.4344 7.6262 117.9856 55.7842 30.0897 175.3773 66 M 4.8402 7.4629 113.8944 52.9826 34.5503 175.3668 67 S 4.3590 8.5895 115.8996 58.5769 65.2885 175.4225 68 Q 4.0782 8.4963 120.6491 58.8590 28.2682 179.0742 69 R 3.9975 7.9192 119.0489 58.9612 30.0452 178.7294 70 E 3.9649 7.9654 118.1036 59.2455 29.5025 178.7377 71 L 3.9094 7.7464 120.2479 58.3906 42.0776 179.0635 72 K 3.9409 8.1475 119.1213 59.4412 31.9310 178.5433 73 N 4.3716 7.8283 116.9389 55.9147 38.3485 176.9680 74 E 4.0054 8.2219 119.9664 59.3606 29.9293 178.5132 75 L 4.2993 8.0333 116.3026 54.5982 41.9953 177.2037 76 G 3.7664 7.4683 105.0826 46.5267 0.0000 173.5981 77 A 4.5713 7.7859 121.8390 49.9736 21.3317 177.9502 78 G 3.9658 8.0908 108.1653 44.7758 0.0000 175.0285 79 I 3.8758 8.1717 118.7793 63.3092 37.9956 177.8355 80 A 4.0217 8.0054 121.6128 55.5922 17.9314 179.5314 81 T 3.9310 7.6154 112.9424 66.5628 68.4734 177.1383 82 I 3.8310 7.5927 121.5754 64.4216 37.2733 178.2936 83 T 3.9449 7.9563 116.7493 66.6037 68.2930 176.8929 84 R 4.0542 8.1914 120.1842 59.1578 29.9940 179.4136 85 G 3.5571 7.8376 105.2989 47.7337 0.0000 175.6008 86 S 4.1038 8.5314 116.2788 61.3820 62.2095 176.1726 87 N 4.4179 8.3896 118.0210 56.2626 38.6381 177.4209 88 S 4.2688 8.0758 116.6956 61.4515 62.9845 176.3558 89 L 4.0065 8.2817 123.4027 58.1675 41.5753 179.1376 90 K 3.9651 7.7384 116.8617 59.1376 32.0549 178.4321 91 A 4.2735 7.6456 118.4371 52.3088 19.2745 177.6806 92 A 4.1273 7.0429 120.1805 51.3914 19.3053 176.4181 93 P 4.4714 0.0000 0.0000 62.0502 33.4343 177.9906 94 V 3.6109 8.4136 119.9775 66.4172 31.3522 178.0854 95 E 3.9850 8.2555 117.5649 59.4996 29.2644 179.0561 96 L 4.0517 7.8924 119.3822 58.3149 42.3231 178.8304 97 R 4.0048 8.1661 118.2485 59.5288 29.4362 179.1399 98 Q 4.2575 8.4304 117.2272 58.7914 28.6437 178.2263 99 W 4.2362 8.4282 130.7106 60.0688 30.6504 178.0178 100 L 3.6211 8.5011 119.4329 57.7383 40.9798 179.0495 101 E 4.0451 8.0160 115.6829 58.1070 29.4565 178.0155 102 E 4.2747 7.0857 115.5420 58.1300 30.2334 178.5460 103 V 3.3283 6.9794 111.4650 64.4914 31.6055 178.0267 104 L 4.2489 7.6332 116.8516 55.9370 42.6200 177.4451 105 L 4.5507 6.8800 121.4690 55.0972 42.0144 177.3181 *106 K 4.1215 8.7842 129.3356 55.8293 32.3453 174.2205 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 4.34 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 3 Q 8.31 4.23 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 4 Q 7.09 3.22 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.14 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 5 S 6.37 3.44 0.00 3.44 3.89 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 6 P 0.00 3.89 0.00 2.09 2.08 0.00 3.79 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 7 Y 6.76 3.93 0.00 3.09 2.99 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 8 S 7.66 4.47 0.00 4.01 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 9 A 8.76 3.94 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 10 A 7.50 3.89 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 11 M 8.32 4.72 0.00 2.07 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 2.48 2.49 0.00 12 A 7.83 4.27 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 13 E 8.09 4.24 0.00 2.05 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 2.33 2.37 0.00 14 Q 7.97 4.01 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 15 R 8.03 4.21 0.00 2.09 2.20 0.00 3.00 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 16 H 8.95 4.94 0.00 3.22 3.50 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.16 4.11 0.00 2.14 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 2.43 2.48 0.00 18 E 7.93 4.10 0.00 2.40 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 0.00 2.37 2.66 0.00 19 W 7.80 4.37 0.00 3.67 3.32 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 20 L 8.04 3.57 0.00 1.82 1.58 0.89 0.53 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 21 R 7.66 3.81 0.00 2.02 2.00 0.00 3.10 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 22 F 7.81 4.00 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 23 V 7.29 2.99 1.77 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 0.76 0.00 0.00 -0.02 0.00 0.00 24 D 7.93 4.18 0.00 2.89 2.59 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 25 L 7.71 3.81 0.00 1.74 1.59 0.87 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.56 3.65 0.00 0.97 1.35 0.70 1.08 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 27 K 7.65 3.88 0.00 1.90 1.93 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 28 N 8.05 4.31 0.00 2.98 2.81 0.00 0.00 6.95 7.15 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 29 A 7.98 3.95 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 30 Y 8.20 3.96 0.00 3.11 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 31 Q 7.78 4.10 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 32 N 7.91 4.75 0.00 2.68 2.83 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 33 D 7.64 4.60 0.00 2.82 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 34 L 7.87 4.63 0.00 1.63 1.57 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.90 3.94 0.00 2.58 2.58 0.00 5.66 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 36 L 7.29 3.86 0.00 1.58 1.61 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.30 0.00 2.27 2.26 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 38 L 7.73 3.96 0.00 1.85 1.82 0.94 0.32 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 39 L 8.30 4.35 0.00 1.73 1.76 0.94 1.06 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 40 N 7.88 4.47 0.00 2.87 2.88 0.00 0.00 6.95 8.01 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 41 L 7.60 4.15 0.00 1.65 1.94 0.93 1.06 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 42 M 8.48 4.26 0.00 2.05 2.30 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 2.93 2.97 0.00 43 L 7.12 4.88 0.00 1.79 1.58 0.99 0.86 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 44 T 8.79 4.43 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 45 P 0.00 4.26 0.00 2.18 2.15 0.00 3.60 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 2.12 2.15 0.00 46 D 8.04 4.36 0.00 2.79 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 47 E 7.99 4.00 0.00 2.20 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 2.32 2.34 0.00 48 R 7.89 3.97 0.00 2.08 2.01 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 49 E 8.16 3.94 0.00 2.05 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 2.34 2.50 0.00 50 A 8.01 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.12 0.00 2.03 1.79 0.99 0.73 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 52 G 7.98 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 53 T 7.90 3.92 4.41 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 1.22 0.00 0.00 54 R 8.10 3.97 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 55 V 7.79 3.66 2.11 0.00 0.00 0.00 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 1.01 0.00 0.00 56 R 7.75 4.07 0.00 2.00 1.98 0.00 3.44 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 57 I 7.84 3.68 2.02 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 1.41 0.70 0.92 0.00 0.00 58 V 7.99 3.57 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 1.02 0.00 0.00 0.98 0.00 0.00 59 E 8.48 3.85 0.00 2.03 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 0.00 2.29 2.33 0.00 60 E 8.51 3.96 0.00 2.00 1.98 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 2.50 2.50 0.00 61 L 7.90 3.97 0.00 1.84 1.73 0.93 0.94 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 62 L 7.65 4.12 0.00 1.80 1.72 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.37 4.05 0.00 2.05 2.11 0.00 3.22 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 64 G 7.91 4.53 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 65 E 7.63 4.43 0.00 1.75 1.95 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 2.25 2.22 0.00 66 M 7.46 4.84 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 67 S 8.59 4.36 0.00 4.07 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 68 Q 8.50 4.08 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 69 R 7.92 4.00 0.00 1.89 1.97 0.00 3.17 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 1.72 1.78 0.00 70 E 7.97 3.96 0.00 2.21 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 2.33 2.31 0.00 71 L 7.75 3.91 0.00 1.91 1.78 0.92 0.57 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 72 K 8.15 3.94 0.00 1.88 2.00 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.69 7.81 73 N 7.83 4.37 0.00 2.92 2.84 0.00 0.00 6.56 7.52 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 74 E 8.22 4.01 0.00 2.12 1.98 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 2.32 2.36 0.00 75 L 8.03 4.30 0.00 1.74 1.71 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.47 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 0.00 0.00 0.00 77 A 7.79 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 78 G 8.09 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 79 I 8.17 3.88 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 1.57 1.20 0.91 0.00 0.00 80 A 8.01 4.02 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 81 T 7.62 3.93 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 1.22 0.00 0.00 82 I 7.59 3.83 1.99 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 1.64 0.40 0.96 0.00 0.00 83 T 7.96 3.94 4.41 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 1.21 0.00 0.00 84 R 8.19 4.05 0.00 2.03 1.98 0.00 3.12 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 1.65 1.82 0.00 85 G 7.84 3.56 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 0.00 0.00 0.00 86 S 8.53 4.10 0.00 3.93 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 87 N 8.39 4.42 0.00 2.69 2.86 0.00 0.00 7.15 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 88 S 8.08 4.27 0.00 4.08 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 89 L 8.28 4.01 0.00 2.01 1.79 0.95 0.53 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 90 K 7.74 3.97 0.00 2.03 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.69 7.81 91 A 7.65 4.27 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 92 A 7.04 4.13 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 93 P 0.00 4.47 0.00 2.19 2.05 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 94 V 8.41 3.61 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 1.17 0.00 0.00 0.95 0.00 0.00 95 E 8.26 3.99 0.00 2.10 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 2.40 2.46 0.00 96 L 7.89 4.05 0.00 1.79 1.87 1.04 1.03 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 97 R 8.17 4.00 0.00 2.07 2.01 0.00 3.20 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 98 Q 8.43 4.26 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.73 2.45 0.00 99 W 8.43 4.24 0.00 3.49 3.47 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 0.00 100 L 8.50 3.62 0.00 1.95 1.68 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.02 4.05 0.00 1.93 1.97 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 2.33 2.54 0.00 102 E 7.09 4.27 0.00 1.91 1.81 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 2.20 2.54 0.00 103 V 6.98 3.33 1.68 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 -0.16 0.00 0.00 -0.01 0.00 0.00 104 L 7.63 4.25 0.00 1.77 1.63 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 105 L 6.88 4.55 0.00 1.62 0.95 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *106 K 8.78 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.03 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.