NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3415 8.2129 119.0738 56.0830 32.4529 178.2751 8 L 3.9474 7.9002 120.2374 59.4578 40.7935 181.6346 9 Q 4.2904 8.4387 120.1830 59.4864 29.0245 179.5428 10 R 3.9577 7.9139 120.8847 61.7166 29.6361 180.6810 11 E 4.2231 8.1031 119.3246 58.8135 29.2883 179.4139 12 L 3.9388 7.8947 120.2826 58.2940 42.2801 178.7457 13 I 3.8021 7.5063 119.7401 64.9450 37.1441 178.2725 14 E 4.0183 8.3470 118.7931 59.1597 29.2343 179.3274 15 A 4.0215 8.2014 121.0797 55.1604 18.4304 179.4273 16 Q 4.0565 8.4835 118.3698 59.3603 29.1071 178.5911 17 R 3.3448 8.1694 119.8925 59.0663 29.9509 178.4297 18 Q 3.9610 8.1446 117.9146 59.3152 28.5210 178.9806 19 T 3.8346 7.8119 115.3067 66.6896 68.5651 175.5642 20 Y 4.2898 8.4457 121.7684 61.0381 38.8322 178.1080 21 N 4.2926 8.6389 117.5300 56.0762 38.5692 177.5256 22 E 3.7060 8.1037 117.1568 57.1495 29.4917 178.4594 *24 R 3.9017 7.9090 117.8782 56.0253 32.2938 177.9276 25 T 3.7811 7.7315 114.3643 66.7962 68.3782 175.7742 26 Y 4.1642 7.9615 121.3028 60.9207 38.7352 178.3148 27 F 4.3399 7.7068 117.9336 60.8860 38.9489 177.6183 28 T 4.3753 7.8491 116.5654 66.1774 68.0529 176.6696 29 V 3.5833 7.6535 118.9098 66.1520 31.6055 177.0512 30 N 4.6178 7.9062 112.5798 52.6957 38.4600 175.4520 31 G 3.8958 8.0034 108.5477 46.7524 0.0000 174.7458 32 V 4.2643 7.6238 110.8578 60.6460 32.1324 177.6609 33 E 4.0675 8.0694 119.9920 58.1647 29.9118 178.1857 34 G 3.8852 7.9671 107.2224 46.2614 0.0000 174.3086 35 V 4.0090 7.4329 118.2037 62.7069 33.0508 175.8371 36 I 4.1103 7.5908 122.6004 59.8692 36.8744 176.5564 37 G 4.0274 9.2200 115.7748 46.2827 0.0000 171.3335 38 A 5.5295 8.3911 122.4415 50.7276 22.3732 176.0576 39 V 4.8268 9.2354 113.9931 58.7247 36.7297 174.0841 40 F 4.7370 8.6062 124.8165 56.4477 41.8864 174.3398 41 D 4.2957 8.1822 125.2370 52.8742 42.1234 174.6721 42 E 3.8662 9.2812 129.2811 57.0403 26.9516 175.8393 43 G 3.8155 6.4151 105.8931 44.9333 0.0000 173.1986 44 V 4.0675 7.0503 120.6778 61.9930 32.9161 174.7202 45 I 4.9032 8.4793 129.1454 60.0955 39.5138 174.7203 46 T 5.0929 9.0364 123.6443 61.8696 71.3307 173.0444 47 L 5.4664 9.4096 126.9536 53.2484 44.8048 175.8003 48 R 5.2227 9.0989 120.9904 54.5179 33.9789 174.4985 49 V 4.7404 9.0025 123.6903 60.1957 34.8229 173.2919 50 P 4.8378 0.0000 0.0000 62.5373 32.0641 177.6502 51 S 4.3971 8.9767 118.8811 61.7451 62.4602 176.6761 52 E 3.9438 8.2812 120.9887 59.2775 29.2826 178.5701 53 V 3.7412 7.4750 117.4244 65.4102 32.0205 177.4590 54 L 3.9024 7.4787 117.6846 55.1605 41.8372 176.4845 55 F 5.1456 7.6180 115.2698 55.3091 43.3259 174.3061 56 A 4.3769 8.4775 125.8414 50.6940 19.2585 175.5290 57 P 4.4496 0.0000 0.0000 64.3022 31.6704 177.1490 58 G 3.9820 9.1304 109.1510 45.3197 0.0000 172.6947 59 A 4.9947 7.6237 120.9533 50.4732 21.9443 176.6448 60 V 3.9591 8.1650 110.6596 60.9506 33.4360 176.1489 61 E 4.6043 7.9884 119.0775 55.1097 30.4470 176.2688 62 L 4.1661 8.3917 120.9520 54.8763 42.4607 177.2246 63 A 4.4466 8.6695 125.9319 50.5773 19.5428 176.6564 64 P 4.1594 0.0000 0.0000 65.8328 31.4537 178.6607 65 G 3.7684 7.9548 103.0773 46.2785 0.0000 174.3733 66 A 4.1503 8.0551 122.7151 53.4711 18.5950 179.3328 67 D 4.1950 7.4542 117.8525 57.6823 40.9414 179.1113 68 R 3.7838 7.7807 118.0552 59.4882 30.1933 178.5773 69 V 3.4008 7.5028 117.4434 65.7850 31.5096 177.8013 70 L 3.8170 7.8433 118.5531 57.6956 41.4258 179.2170 71 A 4.2174 8.0295 122.2283 54.8927 18.1508 179.7451 72 T 3.9521 7.7502 115.3912 66.3498 68.4753 176.8811 73 L 3.6145 7.8848 120.7743 57.2373 41.4187 179.3990 74 K 4.3587 8.5977 120.0490 60.0306 32.2239 178.6801 75 D 4.3873 8.2144 118.9272 56.9611 40.6023 178.5287 76 L 3.7203 7.7553 120.8946 58.2050 41.9048 179.1452 77 F 4.5860 7.9031 116.5836 60.7057 38.8913 177.4371 78 I 3.9402 7.9941 118.7820 64.5136 36.9854 178.3345 79 R 4.1905 7.9000 117.7214 57.6202 31.6634 178.3028 80 R 4.5516 8.0228 120.1071 54.7224 27.0712 177.2197 81 R 4.0611 7.8390 119.6183 58.6839 31.0112 178.2102 82 E 4.1318 8.1452 114.8591 57.8041 30.0821 175.8989 83 Q 4.7828 7.8314 120.0799 55.2518 29.2173 175.5632 84 N 4.6813 9.3365 122.3009 52.9984 40.5849 174.4655 85 I 4.3514 8.9389 123.2622 59.7456 40.1347 174.4749 86 N 5.2411 8.9857 126.4636 50.8045 40.3670 174.4204 87 I 4.3801 8.4824 126.2494 60.2948 39.1667 175.4347 88 K 4.7034 8.9671 125.8437 54.5186 35.7245 175.2929 89 G 4.2346 8.7345 113.2903 44.0051 0.0000 172.5427 90 F 5.5098 9.1689 123.8308 55.8204 43.0375 174.1663 91 T 4.9439 8.6111 111.1190 59.8950 72.0657 173.0085 92 D 4.7071 8.3546 120.5686 52.9713 41.5594 176.4056 93 D 4.8445 8.6150 121.8869 53.5237 39.6432 175.7661 94 V 3.9089 7.6567 120.1295 62.3324 31.9219 176.1259 95 Q 4.1749 8.5020 126.6164 54.8752 29.2417 174.2302 96 P 4.5228 0.0000 0.0000 62.3183 32.2654 176.2180 97 S 4.1862 8.5376 114.3574 58.6871 63.1244 175.9300 98 A 4.1345 8.5664 126.7681 54.6028 18.3319 178.3301 99 N 4.4665 8.0250 111.5504 54.1662 37.9400 175.5158 100 A 4.1694 7.7000 122.9388 51.5438 19.0724 178.1512 101 R 3.8017 7.6991 114.8130 56.9628 30.0155 176.4479 102 F 5.0787 6.5599 118.5253 56.0147 40.1093 176.1720 103 K 4.1231 9.7923 126.5111 59.3714 32.3087 176.2511 104 D 4.4965 7.3699 115.5225 52.0018 41.7063 175.8615 105 N 4.3953 8.2791 115.2386 55.5382 38.3421 177.5958 106 W 4.1344 8.0892 120.5491 59.7729 29.1960 178.0544 107 E 3.9845 8.8718 118.5357 59.3716 28.9445 179.2480 108 V 2.9933 7.6383 118.4732 66.1362 31.4057 178.2856 109 S 3.8815 8.0404 113.4515 61.2205 62.8511 176.1693 110 A 3.9208 8.0891 124.4332 54.8934 18.1130 179.6613 111 L 3.9440 7.9840 117.5862 57.7103 41.6893 179.7240 112 R 3.8336 7.6328 119.4037 58.6690 29.4177 179.2424 113 S 4.1559 8.1767 115.2151 61.6384 62.7720 177.2209 114 V 3.7654 7.8445 121.7809 64.9175 30.9025 178.1850 115 N 4.4580 8.3499 117.2254 55.8214 38.4448 177.6591 116 V 3.7757 8.2207 119.9479 65.9295 31.6403 177.5500 117 L 4.2164 8.3884 120.4927 58.6906 41.8836 179.2109 118 R 3.9749 8.4959 118.0463 59.2950 30.0193 178.3184 119 Y 3.9117 7.8425 119.3808 60.9077 38.7943 178.4263 120 F 4.2861 8.0548 118.0489 60.4309 39.0273 177.7383 121 L 4.1733 8.5710 119.2610 57.8033 41.2296 179.6591 122 G 3.6683 8.3984 104.7380 47.3092 0.0000 174.4761 123 A 4.3533 7.2508 119.6507 51.7610 19.2044 177.8539 124 G 3.9869 7.8622 106.0518 44.8595 0.0000 174.3885 125 I 3.8749 7.5399 121.0104 60.7860 37.8339 175.7708 126 E 4.0442 8.8894 124.8768 56.1520 30.0569 176.4481 127 P 4.2770 0.0000 0.0000 65.4281 31.6272 178.3083 128 A 4.1342 7.9286 119.5539 54.3476 18.6458 178.1751 129 R 4.4678 8.0549 113.6008 56.1984 30.7171 175.7248 130 L 5.3031 7.5943 118.3310 53.0078 43.8483 175.9039 131 T 4.7987 8.6015 111.8980 60.1977 72.9312 173.2707 132 A 4.7601 8.3367 123.5500 51.8736 21.1054 175.5690 133 T 4.4874 9.0418 119.5098 62.2390 71.8358 174.3921 134 G 3.9444 8.7665 115.6308 45.3392 0.0000 173.1541 135 L 4.5303 8.4885 125.0727 53.2501 43.6301 178.0497 136 G 3.0874 7.1203 109.7650 46.9459 0.0000 175.9787 137 E 4.3285 8.0808 123.1146 56.5233 29.6882 176.6695 138 L 4.0656 7.3243 119.4427 55.4737 42.3980 175.8092 139 D 4.3179 8.6969 117.5402 54.3040 39.5093 172.2450 140 P 4.2455 0.0000 0.0000 62.7438 32.1421 176.2502 141 L 3.8894 8.6836 122.8597 57.2270 42.2769 177.1753 142 F 4.7965 7.9923 114.1697 54.3836 42.6406 172.8631 143 P 4.3718 0.0000 0.0000 63.1318 32.1359 177.3130 144 N 4.7692 8.4793 120.0986 53.1541 36.8209 175.2240 145 T 4.6409 7.3491 103.9381 60.3652 70.4175 174.8482 146 S 4.5826 7.4344 115.2591 56.8176 66.5190 175.3254 147 D 4.2959 8.4794 122.8836 57.4873 40.6147 178.6414 148 E 3.8317 8.0613 119.2994 59.2987 29.4485 178.4864 149 N 4.0656 7.9101 115.2650 56.3121 38.9254 177.3170 150 R 4.1833 8.2133 119.3561 59.1816 30.2825 178.7777 151 A 3.9943 8.1325 120.6728 55.5302 18.1550 179.9804 152 R 3.9599 7.6981 114.8230 59.0974 30.1369 178.4119 153 N 4.7888 7.9513 114.7912 53.9749 39.6377 175.7299 154 R 4.5942 7.6563 120.6815 54.8830 29.8603 175.5576 155 R 5.2414 8.6033 119.2696 54.9561 33.9380 173.9149 156 V 4.8285 9.0783 120.1884 61.3465 33.8524 174.2856 157 E 5.3215 9.2980 127.4978 54.9267 32.6284 175.1778 158 F 5.1387 9.4753 121.0574 55.9722 42.4211 174.3043 159 V 4.7789 8.9449 125.7439 61.4372 33.1407 174.3770 160 L 5.6978 9.2354 128.8806 52.6534 43.8063 175.6457 161 E 5.0472 8.4962 121.9639 54.2001 33.9542 174.8801 162 R 4.5606 8.6001 123.9737 56.1256 31.0301 176.3362 163 R 4.2273 8.7843 122.6159 56.4992 29.3361 176.2815 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 7 R 8.21 4.34 0.00 1.75 2.01 0.00 3.21 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 8 L 7.90 3.95 0.00 1.73 1.70 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.44 4.29 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 10 R 7.91 3.96 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 11 E 8.10 4.22 0.00 2.05 2.04 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 2.34 2.33 0.00 12 L 7.89 3.94 0.00 1.85 1.92 0.93 0.95 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 13 I 7.51 3.80 2.04 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 1.56 0.60 1.10 0.00 0.00 14 E 8.35 4.02 0.00 2.15 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 2.35 2.47 0.00 15 A 8.20 4.02 1.40 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 0.00 0.00 0.00 16 Q 8.48 4.06 0.00 2.39 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 17 R 8.17 3.34 0.00 1.65 1.87 0.00 3.06 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.00 18 Q 8.14 3.96 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 19 T 7.81 3.83 4.51 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 0.00 0.00 0.00 1.26 0.00 0.00 20 Y 8.45 4.29 0.00 3.28 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 21 N 8.64 4.29 0.00 2.68 2.79 0.00 0.00 6.74 7.68 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 22 E 8.10 3.71 0.00 1.96 2.04 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 2.19 2.28 0.00 *24 R 7.91 3.90 0.00 1.63 1.83 0.00 2.67 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.88 0.00 25 T 7.73 3.78 4.31 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 1.19 0.00 0.00 26 Y 7.96 4.16 0.00 2.89 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 27 F 7.71 4.34 0.00 3.13 2.86 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 28 T 7.85 4.38 4.39 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 1.20 0.00 0.00 29 V 7.65 3.58 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 0.85 0.00 0.00 0.98 0.00 0.00 30 N 7.91 4.62 0.00 2.44 2.65 0.00 0.00 7.06 6.94 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 31 G 8.00 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 0.00 0.00 0.00 32 V 7.62 4.26 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.62 0.00 0.00 33 E 8.07 4.07 0.00 2.15 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 2.35 2.25 0.00 34 G 7.97 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 0.00 0.00 0.00 35 V 7.43 4.01 2.02 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 0.69 0.00 0.00 0.86 0.00 0.00 36 I 7.59 4.11 1.28 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.32 0.60 0.00 0.00 37 G 9.22 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 0.00 0.00 0.00 38 A 8.39 5.53 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 9.24 4.83 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 0.90 0.00 0.00 1.03 0.00 0.00 40 F 8.61 4.74 0.00 1.51 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 0.00 0.00 0.00 41 D 8.18 4.30 0.00 2.58 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 0.00 0.00 0.00 0.00 42 E 9.28 3.87 0.00 1.96 1.86 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 2.19 2.22 0.00 43 G 6.42 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 0.00 0.00 0.00 44 V 7.05 4.07 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 0.96 0.00 0.00 0.84 0.00 0.00 45 I 8.48 4.90 2.05 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.87 1.28 0.00 0.00 46 T 9.04 5.09 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 1.31 0.00 0.00 47 L 9.41 5.47 0.00 1.85 1.71 1.19 1.00 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 48 R 9.10 5.22 0.00 1.79 1.87 0.00 3.12 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 49 V 9.00 4.74 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 1.04 0.00 0.00 1.02 0.00 0.00 50 P 0.00 4.84 0.00 2.22 1.97 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 51 S 8.98 4.40 0.00 4.03 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 0.00 52 E 8.28 3.94 0.00 1.95 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 2.29 2.43 0.00 53 V 7.47 3.74 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 0.79 0.00 0.00 0.89 0.00 0.00 54 L 7.48 3.90 0.00 0.70 0.39 0.93 0.86 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 55 F 7.62 5.15 0.00 2.96 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 56 A 8.48 4.38 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 57 P 0.00 4.45 0.00 2.22 2.10 0.00 3.84 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 2.02 1.99 0.00 58 G 9.13 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 59 A 7.62 4.99 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 60 V 8.16 3.96 1.82 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 0.12 0.00 0.00 0.98 0.00 0.00 61 E 7.99 4.60 0.00 2.03 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 2.36 2.46 0.00 62 L 8.39 4.17 0.00 1.60 1.45 0.80 0.57 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 63 A 8.67 4.45 1.24 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 0.00 0.00 0.00 64 P 0.00 4.16 0.00 2.16 2.11 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 65 G 7.95 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 66 A 8.06 4.15 1.13 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 67 D 7.45 4.20 0.00 2.64 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 68 R 7.78 3.78 0.00 1.80 1.83 0.00 3.10 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 1.61 1.63 0.00 69 V 7.50 3.40 1.93 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 0.83 0.00 0.00 0.78 0.00 0.00 70 L 7.84 3.82 0.00 1.33 0.45 0.18 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.03 4.22 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.75 3.95 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 0.97 0.00 0.00 73 L 7.88 3.61 0.00 1.84 0.71 0.14 0.35 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 74 K 8.60 4.36 0.00 2.13 2.18 0.00 1.57 0.00 0.00 1.51 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.61 7.81 75 D 8.21 4.39 0.00 2.93 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 76 L 7.76 3.72 0.00 1.86 1.68 0.85 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 77 F 7.90 4.59 0.00 3.19 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 78 I 7.99 3.94 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.69 0.94 0.00 0.00 79 R 7.90 4.19 0.00 1.71 1.91 0.00 3.27 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 80 R 8.02 4.55 0.00 1.98 2.04 0.00 3.45 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 81 R 7.84 4.06 0.00 1.81 2.01 0.00 3.22 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 82 E 8.15 4.13 0.00 2.12 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 2.38 2.29 0.00 83 Q 7.83 4.78 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 84 N 9.34 4.68 0.00 2.69 2.68 0.00 0.00 6.38 7.36 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 85 I 8.94 4.35 1.47 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.59 0.36 0.00 0.00 86 N 8.99 5.24 0.00 2.67 2.72 0.00 0.00 6.84 7.12 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 87 I 8.48 4.38 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.55 0.69 0.00 0.00 88 K 8.97 4.70 0.00 1.59 1.10 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.32 7.81 89 G 8.73 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 0.00 0.00 0.00 0.00 90 F 9.17 5.51 0.00 3.11 2.90 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 91 T 8.61 4.94 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 1.11 0.00 0.00 92 D 8.35 4.71 0.00 2.96 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 93 D 8.62 4.84 0.00 2.86 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 94 V 7.66 3.91 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 0.79 0.00 0.00 0.98 0.00 0.00 95 Q 8.50 4.17 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 96 P 0.00 4.52 0.00 2.27 2.18 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 97 S 8.54 4.19 0.00 3.95 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 98 A 8.57 4.13 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 99 N 8.02 4.47 0.00 2.80 2.94 0.00 0.00 6.03 7.26 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 0.00 100 A 7.70 4.17 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 0.00 101 R 7.70 3.80 0.00 1.70 1.78 0.00 2.88 0.00 0.00 3.02 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.83 0.00 102 F 6.56 5.08 0.00 2.93 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 0.00 103 K 9.79 4.12 0.00 1.94 1.96 0.00 1.66 0.00 0.00 2.07 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.46 7.81 104 D 7.37 4.50 0.00 2.94 2.85 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 0.00 105 N 8.28 4.40 0.00 2.59 2.69 0.00 0.00 6.85 7.68 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 0.00 106 W 8.09 4.13 0.00 3.61 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 0.00 107 E 8.87 3.98 0.00 2.26 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 0.00 2.42 2.63 0.00 108 V 7.64 2.99 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 0.76 0.00 0.00 0.80 0.00 0.00 109 S 8.04 3.88 0.00 3.98 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 0.00 110 A 8.09 3.92 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 0.00 111 L 7.98 3.94 0.00 1.44 1.63 1.05 0.81 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 0.00 112 R 7.63 3.83 0.00 1.62 1.23 0.00 2.60 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 113 S 8.18 4.16 0.00 3.93 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 0.00 114 V 7.84 3.77 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 1.05 0.00 0.00 0.97 0.00 0.00 115 N 8.35 4.46 0.00 3.19 3.05 0.00 0.00 6.57 7.82 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 0.00 116 V 8.22 3.78 2.43 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 1.51 0.00 0.00 1.27 0.00 0.00 117 L 8.39 4.22 0.00 1.94 1.97 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.50 3.97 0.00 2.12 2.03 0.00 3.24 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 119 Y 7.84 3.91 0.00 2.92 2.88 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 0.00 120 F 8.05 4.29 0.00 3.40 3.34 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 0.00 121 L 8.57 4.17 0.00 1.72 1.76 0.97 1.07 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 0.00 122 G 8.40 3.67 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 0.00 0.00 0.00 123 A 7.25 4.35 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.86 3.99 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 0.00 0.00 0.00 125 I 7.54 3.87 2.10 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.23 0.96 0.00 0.00 126 E 8.89 4.04 0.00 2.04 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 2.42 2.37 0.00 127 P 0.00 4.28 0.00 2.19 2.13 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 128 A 7.93 4.13 1.28 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 0.00 0.00 129 R 8.05 4.47 0.00 2.00 1.90 0.00 3.23 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 130 L 7.59 5.30 0.00 1.55 1.58 1.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.60 4.80 4.22 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 0.00 0.00 1.19 0.00 0.00 132 A 8.34 4.76 1.28 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 0.00 0.00 133 T 9.04 4.49 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 1.20 0.00 0.00 134 G 8.77 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 0.00 135 L 8.49 4.53 0.00 0.93 1.57 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 136 G 7.12 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.08 4.33 0.00 1.83 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 2.47 2.08 0.00 138 L 7.32 4.07 0.00 1.81 1.68 1.23 1.05 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 0.00 139 D 8.70 4.32 0.00 2.85 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 0.00 140 P 0.00 4.25 0.00 2.39 2.01 0.00 3.77 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 1.95 1.93 0.00 141 L 8.68 3.89 0.00 1.61 1.89 0.75 0.71 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 0.00 142 F 7.99 4.80 0.00 3.00 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 0.00 143 P 0.00 4.37 0.00 2.08 2.01 0.00 3.85 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 2.08 2.13 0.00 144 N 8.48 4.77 0.00 2.79 2.87 0.00 0.00 6.75 7.54 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 0.00 145 T 7.35 4.64 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 1.22 0.00 0.00 146 S 7.43 4.58 0.00 3.99 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 0.00 147 D 8.48 4.30 0.00 2.68 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 0.00 148 E 8.06 3.83 0.00 1.95 1.82 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 2.21 2.31 0.00 149 N 7.91 4.07 0.00 2.85 3.06 0.00 0.00 7.11 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 0.00 150 R 8.21 4.18 0.00 1.96 2.18 0.00 3.14 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 1.87 1.82 0.00 151 A 8.13 3.99 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 0.00 152 R 7.70 3.96 0.00 1.92 2.09 0.00 2.80 0.00 0.00 2.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 153 N 7.95 4.79 0.00 2.88 3.02 0.00 0.00 6.99 7.70 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 0.00 154 R 7.66 4.59 0.00 1.97 1.93 0.00 3.14 0.00 0.00 3.37 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 155 R 8.60 5.24 0.00 1.90 2.05 0.00 3.12 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 156 V 9.08 4.83 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 0.69 0.00 0.00 1.20 0.00 0.00 157 E 9.30 5.32 0.00 2.13 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 2.39 2.59 0.00 158 F 9.48 5.14 0.00 3.04 3.09 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 0.00 0.00 0.00 159 V 8.94 4.78 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 1.07 0.00 0.00 1.00 0.00 0.00 160 L 9.24 5.70 0.00 1.70 1.75 1.21 0.98 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 0.00 161 E 8.50 5.05 0.00 1.85 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 0.00 2.25 2.26 0.00 162 R 8.60 4.56 0.00 2.02 1.85 0.00 3.25 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 163 R 8.78 4.23 0.00 1.83 2.02 0.00 3.33 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.