NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 D 4.6621 8.2233 120.2134 54.4052 43.0173 177.4858 15 R 3.8760 8.0356 115.9434 58.1695 30.0764 175.5147 16 Y 4.4394 8.8664 114.9386 58.3016 39.1903 175.3202 17 K 4.6848 7.6787 119.9707 55.7643 33.0630 176.4446 18 T 4.0086 8.0786 112.4833 62.6506 67.9555 173.4135 19 K 4.6627 8.4671 123.9243 55.8776 33.4870 178.0014 20 L 4.3759 7.7280 120.5201 57.8784 42.1163 178.8731 21 Y 4.2930 8.3135 119.1862 60.7553 38.3803 177.9318 22 L 3.8359 8.0406 119.4163 56.9824 41.3827 179.2901 23 W 4.1638 7.5168 117.2957 59.6507 28.9372 178.2115 24 R 4.1973 7.8374 117.6116 58.1427 29.5451 177.1535 25 N 4.8539 6.9353 112.9015 52.4495 39.1784 174.3122 26 L 3.8455 7.9126 120.8144 55.4032 42.4869 177.7100 27 G 3.9096 8.4676 115.0767 45.9141 0.0000 171.6759 28 G 3.8900 7.8208 105.2641 45.5062 0.0000 171.6309 29 L 4.1871 7.9504 119.6359 54.4111 42.2677 176.8715 30 I 4.0418 8.1455 124.0321 59.9883 37.8437 174.2865 31 P 4.3964 0.0000 0.0000 62.4232 32.0658 176.2952 32 E 4.1387 9.0160 122.9198 59.6780 29.6863 180.1583 33 D 4.6132 7.9962 116.1099 53.5366 38.9984 177.9205 *35 A 4.2620 8.1819 124.2501 53.2559 20.6330 179.9557 36 I 3.7483 7.9939 116.9378 64.4886 36.9836 178.7148 37 S 4.1161 8.4550 115.5480 61.4145 62.7261 176.9659 38 V 3.5640 7.6061 121.4315 66.0380 31.5044 177.9657 39 T 3.9242 7.8733 109.6038 64.7939 68.4403 175.9869 40 E 3.9378 8.8702 122.0835 59.2081 29.4512 179.4078 41 S 4.0902 8.2866 114.2621 61.7279 63.0047 176.6255 42 I 3.7401 7.6777 123.2137 64.2763 36.8631 178.5910 43 T 3.3634 8.0302 116.2909 66.3292 68.1677 176.5169 44 A 3.7711 7.9960 122.8126 55.1260 18.2944 179.1203 45 D 4.3634 8.2914 117.8449 57.5900 40.9435 179.3854 46 W 4.3091 8.0174 116.6040 59.4224 28.0722 178.5242 47 K 3.8518 7.4570 119.5914 59.1432 31.1515 179.1064 48 Q 3.9051 8.0819 119.3086 59.1301 29.0761 176.9950 49 Y 4.2098 8.0132 119.6190 61.1433 38.8689 177.8527 50 N 4.5660 8.5221 115.8331 55.7481 40.2826 176.3231 51 D 4.5698 8.1453 120.3655 54.6669 37.1082 176.3293 *54 S 4.3698 7.6689 119.9988 58.5022 65.7567 177.0147 55 K 3.9663 8.1651 119.6071 59.3067 31.6689 179.3933 56 V 3.5537 7.7490 118.0289 66.2388 31.2972 178.2256 57 R 3.8989 7.8329 116.9821 59.1976 30.0470 178.4618 58 N 4.3081 8.5402 116.6402 56.6563 38.6183 177.4146 59 E 4.0102 8.2403 119.6797 59.4823 29.3737 179.7061 60 T 3.7969 7.9172 115.9440 66.6119 68.5601 176.5895 61 L 3.9049 8.1971 121.2655 57.9389 41.5995 179.3904 62 D 4.3363 8.1035 118.5799 57.5102 40.9145 178.7691 63 I 3.6172 7.6046 120.1667 64.4814 37.1052 178.5412 64 L 3.6516 7.8877 119.8563 57.3176 41.3928 179.3093 65 K 3.9254 8.0614 119.5551 60.0735 31.9645 178.8072 66 T 3.8962 7.7566 114.3871 66.4204 68.4237 175.3111 67 N 4.6462 7.7697 114.9562 51.7780 39.1401 174.9999 68 K 3.8454 7.8467 118.7244 57.0687 30.4265 175.8957 69 V 3.7033 7.6797 116.9550 62.4298 32.4317 175.3967 70 A 4.2546 8.6470 129.6748 52.4314 18.7339 178.7455 71 T 3.9785 8.5980 112.7714 64.2317 68.6703 176.5636 72 E 4.1069 8.2870 119.3017 58.5684 30.0096 177.4961 73 D 4.7684 8.2940 118.9285 54.8988 41.3904 177.8345 74 Y 4.0777 8.0414 118.5677 61.0272 37.8903 177.8316 75 I 3.8059 8.1609 119.2668 64.2181 37.8469 177.7238 76 G 3.4974 8.0351 105.6324 48.2847 0.0000 175.1674 77 Y 4.1227 7.8503 119.9996 60.3387 37.8312 178.6975 78 I 3.7231 8.5330 120.9932 64.2610 37.1794 178.1434 79 A 3.9768 8.3775 122.0660 55.1606 18.1839 179.3444 80 F 3.0944 8.0261 118.9761 61.1430 39.2766 177.1828 81 A 3.8148 8.0799 120.2473 55.1147 18.0587 179.5318 82 E 3.8319 8.2298 117.0770 59.3420 29.6447 179.0458 83 E 3.9228 8.2817 119.6231 59.0742 29.6832 178.6148 84 L 3.7782 7.9722 120.5084 58.0269 42.1438 178.6470 85 A 3.9455 7.9563 120.7931 55.5291 18.3086 179.0318 86 H 4.2379 8.4700 116.7903 59.7023 29.9192 177.5730 87 Q 4.0520 8.2596 119.8608 58.7557 28.4277 178.6656 88 V 3.8122 8.2319 121.2104 65.0714 31.4839 177.6827 89 W 4.1331 8.7345 128.4405 60.4515 30.5256 177.7888 90 K 3.2553 8.3477 119.2590 59.4843 31.7792 178.4119 91 N 4.2518 8.6737 117.0395 56.1103 38.1884 177.3740 92 K 3.8188 7.9077 120.3230 59.5260 32.4171 178.1906 93 N 4.2102 7.5745 116.3694 55.7310 38.8108 175.4791 94 S 4.5026 7.6806 111.3196 57.5401 64.7683 174.3607 95 S 4.2542 7.6643 116.0414 57.4262 62.5146 172.1223 96 P 4.4891 0.0000 0.0000 64.0720 31.8698 176.1528 97 D 4.6861 7.7719 118.6780 50.7289 41.4258 173.3764 98 P 4.2339 0.0000 0.0000 64.9386 31.5146 177.1938 99 N 4.3024 8.1203 115.3801 56.9932 38.9354 176.9245 100 T 3.8567 8.0412 116.2816 66.6635 68.6075 176.1451 101 A 4.0335 7.7408 122.6486 55.5364 17.8688 179.4145 102 N 4.3761 8.5401 114.9597 56.6291 38.5987 177.5434 103 E 4.0052 8.1687 119.8820 59.1776 29.5529 179.2189 104 A 3.9979 8.1566 120.8824 55.1986 18.3751 179.7656 105 S 4.1062 8.4142 113.9904 61.6193 62.8848 176.5811 106 K 3.9040 8.2800 122.3481 60.0846 31.9606 178.6139 107 T 3.8540 7.9792 115.6571 66.7099 68.3209 176.0789 108 D 4.3518 8.1793 119.6352 57.5722 41.2746 178.3399 109 L 4.3338 8.3994 119.6680 57.7478 41.6215 179.2909 110 E 4.0662 8.9211 119.2681 59.2484 29.3755 179.2509 111 S 4.0654 8.0885 112.8366 61.2316 62.5058 175.8069 112 K 3.7775 8.3147 122.4949 60.1832 31.9498 178.2044 113 Y 4.2716 8.6791 116.9549 60.3110 37.7229 178.1903 114 S 4.5701 8.2610 116.9946 60.7639 63.3073 176.3346 115 D 4.2948 8.0130 121.5070 56.2195 40.9845 177.5771 116 V 3.7080 7.7795 117.4424 64.2989 31.9747 176.0557 117 Y 4.4253 7.6557 113.6789 57.1635 38.5335 175.8544 118 G 3.8488 7.8209 108.0521 46.3856 0.0000 173.8464 119 L 4.3939 7.7442 118.9680 53.0001 43.2709 175.5974 120 D 4.6531 8.9555 120.8916 53.7944 42.0391 177.6319 121 V 3.5391 8.4472 126.7236 66.3584 31.6615 178.0084 122 T 3.8535 8.1311 115.6724 66.5450 68.2628 176.8641 123 V 3.5228 7.6888 119.7469 65.7132 31.6094 177.9342 124 L 3.7562 8.1465 119.0234 57.7591 41.4218 179.0485 125 D 4.5255 8.3967 118.8638 57.5123 40.6727 178.7827 126 A 4.0526 7.9629 120.9403 55.2072 18.2662 179.7449 127 I 3.7054 7.8826 118.2362 64.6646 37.2455 177.6620 128 Y 4.1318 8.7545 120.7525 61.2652 38.3582 178.3505 129 N 4.3540 8.3277 115.1478 55.9560 38.3593 176.9454 130 A 4.1517 7.7649 122.5211 54.7540 18.7622 179.8061 131 V 3.3128 7.9161 116.9576 66.1534 31.3684 177.8135 132 I 3.4238 7.0399 118.2240 64.4479 37.0455 176.2459 133 P 4.3362 0.0000 0.0000 65.4169 31.2190 178.6863 134 I 3.8817 6.9588 117.7617 64.2919 37.2197 178.6722 135 I 3.9979 7.3711 118.6868 61.5755 36.8174 176.5201 *137 G 3.7168 8.1701 114.9585 45.9072 0.0000 173.5203 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 14 D 8.22 4.66 0.00 2.74 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 15 R 8.04 3.88 0.00 1.82 1.82 0.00 3.39 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 16 Y 8.87 4.44 0.00 2.97 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 17 K 7.68 4.68 0.00 1.77 1.81 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 18 T 8.08 4.01 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 1.24 0.00 0.00 19 K 8.47 4.66 0.00 1.84 1.72 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.61 7.81 20 L 7.73 4.38 0.00 1.79 1.89 0.98 0.92 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 21 Y 8.31 4.29 0.00 3.08 3.03 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 22 L 8.04 3.84 0.00 1.64 1.52 0.88 0.98 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 23 W 7.52 4.16 0.00 3.48 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 24 R 7.84 4.20 0.00 1.59 1.92 0.00 3.20 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 25 N 6.94 4.85 0.00 2.36 2.72 0.00 0.00 6.98 7.73 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 26 L 7.91 3.85 0.00 1.67 1.63 0.73 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.47 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 28 G 7.82 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 29 L 7.95 4.19 0.00 1.66 1.62 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.15 4.04 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 1.42 0.47 0.92 0.00 0.00 31 P 0.00 4.40 0.00 2.12 1.99 0.00 3.69 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 2.03 2.11 0.00 32 E 9.02 4.14 0.00 2.03 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 2.41 2.31 0.00 33 D 8.00 4.61 0.00 2.90 2.89 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 *35 A 8.18 4.26 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 36 I 7.99 3.75 2.00 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 1.59 0.89 0.91 0.00 0.00 37 S 8.45 4.12 0.00 4.02 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 0.00 38 V 7.61 3.56 2.24 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 1.10 0.00 0.00 0.94 0.00 0.00 39 T 7.87 3.92 4.28 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 1.24 0.00 0.00 40 E 8.87 3.94 0.00 2.19 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 2.32 2.41 0.00 41 S 8.29 4.09 0.00 4.04 4.20 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 42 I 7.68 3.74 2.10 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 1.57 1.35 1.06 0.00 0.00 43 T 8.03 3.36 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 0.82 0.00 0.00 44 A 8.00 3.77 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 45 D 8.29 4.36 0.00 2.94 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 46 W 8.02 4.31 0.00 3.55 3.25 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 47 K 7.46 3.85 0.00 1.49 1.65 0.00 1.21 0.00 0.00 1.30 0.00 0.00 2.71 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.88 0.21 7.81 48 Q 8.08 3.91 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 49 Y 8.01 4.21 0.00 3.06 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 50 N 8.52 4.57 0.00 3.02 3.00 0.00 0.00 7.08 8.54 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 51 D 8.15 4.57 0.00 2.92 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 *54 S 7.67 4.37 0.00 4.09 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 55 K 8.17 3.97 0.00 1.76 1.83 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.44 1.59 7.81 56 V 7.75 3.55 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 1.01 0.00 0.00 0.86 0.00 0.00 57 R 7.83 3.90 0.00 2.02 1.96 0.00 3.18 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 58 N 8.54 4.31 0.00 2.67 2.86 0.00 0.00 7.08 7.63 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 59 E 8.24 4.01 0.00 2.10 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 2.31 2.33 0.00 60 T 7.92 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 1.18 0.00 0.00 61 L 8.20 3.90 0.00 1.87 1.79 1.01 1.16 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 62 D 8.10 4.34 0.00 2.92 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 0.00 63 I 7.60 3.62 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.74 0.00 0.00 64 L 7.89 3.65 0.00 1.43 1.13 -0.01 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.06 3.93 0.00 1.97 2.00 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.52 7.81 66 T 7.76 3.90 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 67 N 7.77 4.65 0.00 2.68 2.75 0.00 0.00 7.17 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 68 K 7.85 3.85 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.35 7.81 69 V 7.68 3.70 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 0.88 0.00 0.00 0.64 0.00 0.00 70 A 8.65 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 71 T 8.60 3.98 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 1.00 0.00 0.00 72 E 8.29 4.11 0.00 2.19 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 2.34 2.47 0.00 73 D 8.29 4.77 0.00 3.14 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 74 Y 8.04 4.08 0.00 3.12 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 75 I 8.16 3.81 1.92 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 1.58 1.23 0.94 0.00 0.00 76 G 8.04 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.85 4.12 0.00 2.93 2.89 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 78 I 8.53 3.72 2.00 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 1.69 1.07 0.93 0.00 0.00 79 A 8.38 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 3.09 0.00 1.51 2.83 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 0.00 0.00 0.00 0.00 81 A 8.08 3.81 1.41 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 0.00 0.00 82 E 8.23 3.83 0.00 2.04 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 2.26 2.41 0.00 83 E 8.28 3.92 0.00 2.11 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 2.39 2.40 0.00 84 L 7.97 3.78 0.00 1.11 1.39 1.02 1.06 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 85 A 7.96 3.95 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 86 H 8.47 4.24 0.00 3.28 3.58 0.00 5.79 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 87 Q 8.26 4.05 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 88 V 8.23 3.81 2.19 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 1.18 0.00 0.00 0.93 0.00 0.00 89 W 8.73 4.13 0.00 3.42 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 3.26 0.00 2.03 1.97 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.39 7.81 91 N 8.67 4.25 0.00 2.90 2.82 0.00 0.00 6.72 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 92 K 7.91 3.82 0.00 1.72 1.78 0.00 1.88 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.37 7.81 93 N 7.57 4.21 0.00 1.72 1.94 0.00 0.00 7.06 7.16 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 94 S 7.68 4.50 0.00 3.89 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 95 S 7.66 4.25 0.00 3.84 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 96 P 0.00 4.49 0.00 2.20 2.13 0.00 3.74 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 97 D 7.77 4.69 0.00 2.66 2.51 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 0.00 98 P 0.00 4.23 0.00 2.17 2.14 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 99 N 8.12 4.30 0.00 2.76 2.82 0.00 0.00 7.21 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 0.00 100 T 8.04 3.86 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 0.00 101 A 7.74 4.03 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 0.00 102 N 8.54 4.38 0.00 3.01 3.06 0.00 0.00 7.03 8.46 0.00 0.00 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 E 8.17 4.01 0.00 2.14 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 2.54 2.49 0.00 104 A 8.16 4.00 1.41 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 0.00 0.00 105 S 8.41 4.11 0.00 4.15 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 0.00 106 K 8.28 3.90 0.00 1.53 1.80 0.00 0.61 0.00 0.00 1.27 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 0.90 7.81 107 T 7.98 3.85 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 1.22 0.00 0.00 108 D 8.18 4.35 0.00 2.85 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 0.00 109 L 8.40 4.33 0.00 2.04 2.09 0.94 1.45 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 0.00 110 E 8.92 4.07 0.00 2.12 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 0.00 2.40 2.71 0.00 111 S 8.09 4.07 0.00 4.01 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 0.00 112 K 8.31 3.78 0.00 1.89 2.13 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.67 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.04 1.40 7.81 113 Y 8.68 4.27 0.00 3.22 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 0.00 114 S 8.26 4.57 0.00 4.06 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 0.00 115 D 8.01 4.29 0.00 2.86 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 0.00 116 V 7.78 3.71 1.73 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 -0.06 0.00 0.00 0.76 0.00 0.00 117 Y 7.66 4.43 0.00 3.16 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 0.00 118 G 7.82 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 0.00 119 L 7.74 4.39 0.00 1.84 1.38 0.69 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.96 4.65 0.00 2.82 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 0.00 121 V 8.45 3.54 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 1.09 0.00 0.00 0.92 0.00 0.00 122 T 8.13 3.85 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 0.00 123 V 7.69 3.52 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 0.29 0.00 0.00 0.84 0.00 0.00 124 L 8.15 3.76 0.00 1.69 1.12 0.67 0.37 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 0.00 125 D 8.40 4.53 0.00 2.87 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 0.00 126 A 7.96 4.05 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 0.00 127 I 7.88 3.71 2.35 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 1.13 0.00 0.00 128 Y 8.75 4.13 0.00 3.22 3.30 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 0.00 129 N 8.33 4.35 0.00 2.92 2.90 0.00 0.00 7.10 6.77 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 0.00 130 A 7.76 4.15 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 0.00 131 V 7.92 3.31 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 0.91 0.00 0.00 0.89 0.00 0.00 132 I 7.04 3.42 1.56 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 0.64 0.03 0.79 0.00 0.00 133 P 0.00 4.34 0.00 1.97 2.08 0.00 3.72 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 134 I 6.96 3.88 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 1.49 0.53 0.87 0.00 0.00 135 I 7.37 4.00 1.85 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 1.43 0.38 0.97 0.00 0.00 *137 G 8.17 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 * Residues marked with a * may have inaccurate shift predictions.