NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4458 8.3049 120.3261 54.9048 33.4233 174.9039 2 I 3.7759 8.1786 123.6971 59.5688 37.6411 174.7676 3 S 4.3889 9.5162 119.2054 58.2885 64.7118 174.0351 4 G 4.0373 7.3665 107.4923 44.1153 0.0000 171.3625 5 L 4.1678 7.8425 122.0259 54.7428 42.7132 176.2542 6 S 4.5048 8.4670 121.1448 59.4892 62.9899 173.1057 7 H 4.6963 6.9996 111.6579 55.1000 30.9156 172.0893 8 I 4.4045 8.0784 119.2178 59.7162 39.9507 174.9454 9 T 4.9987 8.4403 123.2975 61.7747 70.4333 173.7764 10 L 4.8484 9.1428 126.2329 52.9378 45.4341 175.3788 11 I 4.9483 8.4635 123.2121 60.0315 38.8995 175.4807 12 V 4.7210 8.8975 119.1813 59.5724 35.7215 176.7742 13 K 4.0628 9.8172 124.5321 57.9801 32.4860 177.1088 14 D 4.8079 7.8360 118.0281 51.7822 43.5047 175.8341 15 L 4.0999 8.4921 128.0859 58.1210 41.7914 179.2463 16 N 4.4876 8.2495 115.9260 56.1100 38.6378 177.5777 17 K 4.0622 8.4693 120.1468 59.7490 32.1512 179.6206 18 T 4.1913 8.1505 116.0755 66.6609 68.2767 177.0939 19 T 3.8197 8.2590 117.7171 66.6895 68.5192 176.4821 20 A 4.2432 7.9836 122.2682 55.1016 18.3224 179.4044 21 F 4.2051 8.3508 118.6299 61.6260 39.5571 177.2959 22 L 3.9327 8.2153 118.5412 57.8358 41.4784 179.6967 23 Q 4.2193 8.2032 117.8041 59.0706 28.5021 178.4845 24 N 4.2635 8.0380 115.9775 56.4912 38.7242 177.2507 25 I 3.6952 7.3743 119.3277 63.3841 37.4509 177.0431 26 F 4.3569 7.9082 114.7475 56.4091 39.1566 175.4009 27 N 4.3176 8.0341 116.2238 53.8339 36.5156 174.3610 28 A 4.2369 8.1837 120.1561 52.4508 19.1374 177.3279 29 E 4.6758 9.0833 124.2361 54.2554 31.3258 174.7178 30 E 4.0666 9.0746 129.5168 56.1940 29.9258 176.1650 31 I 4.5506 8.3204 119.0844 60.7785 39.2692 174.7650 32 Y 4.7282 7.3480 122.4479 56.8973 42.0537 172.7749 33 S 4.7671 6.8670 119.6821 56.3064 66.1368 172.6510 34 S 3.5373 6.8963 114.2787 55.5597 65.0056 174.6134 35 G 4.2173 8.0614 111.3034 44.2926 0.0000 174.8512 36 D 4.4411 7.7337 121.6995 55.1918 39.0992 175.6433 *43 K 4.0935 7.9626 121.5174 54.0081 33.2584 175.1234 44 E 5.4474 8.3650 120.9102 54.0014 33.1737 174.5931 45 K 4.6837 9.3205 118.4108 54.8528 37.0642 175.4351 46 F 6.0472 8.9020 120.9613 56.2481 42.3174 174.6554 47 F 5.4727 9.9696 119.9475 55.9684 44.0126 173.3983 48 L 5.4284 9.1142 120.5895 53.2326 44.8336 175.8682 49 I 4.7247 8.5651 123.3850 59.6151 40.9590 175.3465 50 A 3.8762 10.0671 131.2718 53.0975 16.0847 177.5874 51 G 4.0068 8.6347 106.2914 46.7262 0.0000 173.9761 52 L 4.5726 8.2162 121.0927 52.8185 43.1967 175.3808 53 W 4.9812 8.8473 133.8338 57.2831 31.9659 174.5550 54 I 4.9468 9.5388 129.2569 59.8107 39.5087 174.3522 55 C 5.6371 8.9880 125.6264 57.9532 30.5594 172.7950 56 I 5.1667 9.2006 117.8060 59.4109 39.8960 174.4604 57 M 5.2633 8.9806 125.4242 53.1256 35.6470 174.6585 58 E 4.5108 9.2255 124.4056 56.1195 30.2455 176.9047 59 G 3.9802 8.3527 112.9479 46.1037 0.0000 171.6428 60 D 4.5316 8.5982 119.2510 53.9978 41.4875 176.7432 61 S 4.3942 8.3259 118.7238 57.9037 63.6673 174.2285 62 L 4.1531 7.8250 122.6017 55.0656 41.8463 178.1083 63 Q 4.1573 8.6061 121.4240 58.0251 29.1208 176.0491 64 E 4.7686 7.7536 114.4885 54.4014 33.4640 174.7549 65 R 4.5941 8.3140 119.4561 55.1396 31.6171 175.9989 66 T 4.7488 8.0231 110.6342 60.4218 72.0359 172.7173 67 Y 4.4788 8.4956 120.1177 57.6540 38.7629 174.5749 68 N 4.4072 7.7269 116.9184 53.8294 38.8995 173.9984 69 H 4.3104 7.8750 116.7922 55.0850 31.0746 172.5405 70 I 4.2902 7.0720 118.3331 59.4311 39.4943 174.9548 71 A 5.1676 8.0305 126.3392 50.2892 21.3866 175.5169 72 F 4.6864 9.6859 121.6717 56.1227 41.7190 174.6808 73 Q 5.0871 8.7101 122.8811 55.1411 30.3211 174.4575 74 I 4.7702 8.3596 118.5714 59.6639 41.9131 173.9268 75 Q 4.5751 9.4990 120.6903 54.0838 30.6794 177.2943 76 S 4.1006 8.6001 114.9726 61.6528 62.9225 176.0827 77 E 4.2330 8.1279 117.8830 57.7216 29.5808 177.3548 78 E 4.4797 8.1998 118.3291 55.9896 29.9084 177.6575 79 V 3.6254 7.3617 118.9552 66.3013 31.6468 177.4392 80 D 4.3287 8.0779 117.8428 57.3198 40.7247 178.0909 81 E 3.7433 8.1202 119.0879 59.7861 29.4876 178.4718 82 Y 3.8555 8.0411 116.5898 61.0950 37.8867 178.4849 83 T 3.7986 8.2222 117.1215 66.7972 68.5320 176.1997 84 E 3.9242 8.0579 120.9106 59.2393 29.4113 179.0006 85 R 3.8242 7.6289 117.3208 59.1896 30.2834 178.8568 86 I 3.6243 7.8783 119.9110 64.1935 37.0861 178.5488 87 K 3.9172 8.0982 119.0647 59.3579 31.6384 178.7961 88 A 4.2189 7.6933 119.0599 53.6974 18.1107 178.3506 89 L 4.6015 8.0862 117.1375 53.5562 41.8277 177.5141 90 G 4.4178 7.7754 106.5546 46.3126 0.0000 174.6277 91 V 4.1439 7.1809 112.0249 60.2245 32.8780 175.6062 92 E 4.4085 8.7211 122.8225 56.6686 30.7147 175.3062 93 M 5.5370 8.8173 124.6186 53.5992 35.6383 174.8879 94 K 4.9166 8.7032 120.9092 53.7860 34.8791 174.7250 95 P 4.5603 0.0000 0.0000 62.0028 32.1576 175.6346 96 E 4.2475 8.5794 119.6039 56.6104 30.0145 176.6125 97 R 4.3760 8.3099 123.3846 54.1172 31.6253 174.5991 98 P 4.3682 0.0000 0.0000 63.2997 31.7057 175.8872 99 R 4.8369 8.0644 116.2093 55.2658 32.5582 173.7890 100 V 4.5801 8.9271 110.7614 58.9558 35.2904 175.5998 101 Q 4.1270 8.4052 120.1660 57.6110 29.1085 175.5732 102 G 4.2521 9.0040 110.0234 46.2431 0.0000 174.5051 103 E 4.2598 7.6930 119.2484 55.6999 30.8149 178.5079 104 G 4.6795 8.3731 115.8735 45.0070 0.0000 173.3740 105 R 4.9958 8.3642 121.5988 54.5088 34.3039 174.4253 106 S 4.9393 8.7467 116.6947 56.8874 67.2779 173.4634 107 I 4.6164 8.5753 122.4788 59.7515 40.5046 174.2742 108 Y 5.4490 8.4903 122.9399 56.4253 41.6757 174.4393 109 F 5.3331 8.6023 116.6693 56.5781 41.7251 172.3307 110 Y 5.6514 9.0622 116.8343 55.7855 40.6643 176.0663 111 D 4.1168 8.5239 121.2931 52.9296 40.7515 176.9815 112 F 4.8090 7.7729 120.3174 58.0442 39.5390 175.4483 113 D 4.8671 8.5826 120.9993 54.0229 41.5335 176.3803 114 N 4.2229 8.4601 113.2416 54.4722 36.1757 173.4864 115 H 4.6186 8.2288 115.9059 55.1003 29.0029 173.9461 116 L 4.2819 8.2612 125.1228 53.9243 43.6159 175.1143 117 F 5.0055 8.7574 124.5320 55.5518 42.8305 173.8894 118 E 5.1137 8.9665 121.0052 54.5216 33.4022 174.0249 119 L 5.2035 8.8317 126.4664 53.3445 44.3009 174.7175 120 H 5.3229 9.4171 124.4340 54.1734 32.9606 172.1954 121 A 5.1094 9.5760 128.7265 50.1684 20.4554 175.0607 122 G 4.0892 8.4578 108.3642 44.1321 0.0000 173.7684 123 T 4.4774 8.1234 113.5429 59.7448 72.0357 176.0775 124 L 3.9228 8.1986 121.9349 58.2052 41.9060 178.1583 125 E 3.9427 8.1512 117.4685 59.5056 29.9883 178.1462 126 E 4.1253 7.9798 118.2433 59.5428 29.3239 179.3930 127 R 4.0060 7.9654 117.5024 58.6889 29.9194 177.5351 128 L 4.7549 8.1177 119.8453 55.0946 41.7057 179.2044 129 K 4.0692 7.6577 125.0076 60.2066 31.8519 182.4563 130 R 4.2960 7.9169 116.7203 57.8040 30.5243 176.2408 131 Y 4.3489 7.5022 123.4220 57.6983 38.7172 174.6804 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 M 8.30 4.45 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 I 8.18 3.78 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.07 0.93 0.00 0.00 3 S 9.52 4.39 0.00 3.98 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 4 G 7.37 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 0.00 0.00 0.00 5 L 7.84 4.17 0.00 1.57 1.58 0.84 0.82 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 6 S 8.47 4.50 0.00 3.92 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 7 H 7.00 4.70 0.00 2.39 2.41 0.00 5.52 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.08 4.40 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.83 0.00 0.00 9 T 8.44 5.00 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 1.22 0.00 0.00 10 L 9.14 4.85 0.00 1.54 1.45 1.05 0.37 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 11 I 8.46 4.95 1.92 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 1.38 0.84 0.93 0.00 0.00 12 V 8.90 4.72 2.27 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 0.85 0.00 0.00 1.03 0.00 0.00 13 K 9.82 4.06 0.00 1.69 1.86 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.35 7.81 14 D 7.84 4.81 0.00 2.68 2.48 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 15 L 8.49 4.10 0.00 1.78 1.78 0.97 0.86 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 16 N 8.25 4.49 0.00 2.87 2.90 0.00 0.00 7.14 6.93 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 17 K 8.47 4.06 0.00 1.77 1.61 0.00 1.47 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.34 1.71 7.81 18 T 8.15 4.19 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 1.28 0.00 0.00 19 T 8.26 3.82 4.58 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 1.61 0.00 0.00 20 A 7.98 4.24 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 21 F 8.35 4.21 0.00 3.48 3.29 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 22 L 8.22 3.93 0.00 1.30 1.33 0.22 0.47 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 23 Q 8.20 4.22 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.75 2.71 0.00 24 N 8.04 4.26 0.00 2.72 2.81 0.00 0.00 7.16 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 25 I 7.37 3.70 1.09 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.12 -0.01 0.00 0.00 26 F 7.91 4.36 0.00 2.86 2.79 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 27 N 8.03 4.32 0.00 2.93 2.92 0.00 0.00 6.87 6.86 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 28 A 8.18 4.24 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 29 E 9.08 4.68 0.00 2.14 1.94 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 2.27 2.29 0.00 30 E 9.07 4.07 0.00 1.85 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 2.07 1.71 0.00 31 I 8.32 4.55 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.03 0.97 0.00 0.00 32 Y 7.35 4.73 0.00 2.92 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 33 S 6.87 4.77 0.00 3.79 3.42 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 34 S 6.90 3.54 0.00 3.95 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 35 G 8.06 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 0.00 0.00 0.00 0.00 36 D 7.73 4.44 0.00 2.67 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 *43 K 7.96 4.09 0.00 1.71 1.76 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 44 E 8.37 5.45 0.00 2.20 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 2.22 2.37 0.00 45 K 9.32 4.68 0.00 1.86 1.43 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 1.37 7.81 46 F 8.90 6.05 0.00 3.08 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 47 F 9.97 5.47 0.00 3.04 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 48 L 9.11 5.43 0.00 1.67 1.63 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.57 4.72 1.98 0.00 0.00 0.49 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 0.71 0.92 0.00 0.00 50 A 10.07 3.88 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 51 G 8.63 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 0.00 0.00 0.00 52 L 8.22 4.57 0.00 1.93 1.71 1.06 0.86 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 53 W 8.85 4.98 0.00 3.37 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 54 I 9.54 4.95 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 1.00 0.00 0.00 55 C 8.99 5.64 0.00 2.73 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 56 I 9.20 5.17 2.03 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.01 1.04 0.00 0.00 57 M 8.98 5.26 0.00 2.01 2.02 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 2.60 2.71 0.00 58 E 9.23 4.51 0.00 2.01 1.88 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 2.35 2.30 0.00 59 G 8.35 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 60 D 8.60 4.53 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.39 0.00 3.86 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 62 L 7.83 4.15 0.00 1.71 1.57 0.94 0.86 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 63 Q 8.61 4.16 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 64 E 7.75 4.77 0.00 1.89 1.78 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 2.18 2.22 0.00 65 R 8.31 4.59 0.00 1.75 1.94 0.00 2.78 0.00 0.00 2.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 66 T 8.02 4.75 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 1.23 0.00 0.00 67 Y 8.50 4.48 0.00 2.85 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 68 N 7.73 4.41 0.00 2.73 2.67 0.00 0.00 6.74 8.04 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 69 H 7.88 4.31 0.00 3.17 2.94 0.00 5.50 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.07 4.29 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.09 0.33 0.00 0.00 71 A 8.03 5.17 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 9.69 4.69 0.00 3.14 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 73 Q 8.71 5.09 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 74 I 8.36 4.77 2.01 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.47 0.00 0.00 75 Q 9.50 4.58 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 76 S 8.60 4.10 0.00 3.99 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 77 E 8.13 4.23 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 2.31 2.39 0.00 78 E 8.20 4.48 0.00 2.26 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 2.28 2.33 0.00 79 V 7.36 3.63 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 1.14 0.00 0.00 0.93 0.00 0.00 80 D 8.08 4.33 0.00 2.73 2.68 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 81 E 8.12 3.74 0.00 1.87 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 0.00 1.88 2.16 0.00 82 Y 8.04 3.86 0.00 3.14 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 83 T 8.22 3.80 4.37 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 1.21 0.00 0.00 84 E 8.06 3.92 0.00 2.18 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 2.25 2.34 0.00 85 R 7.63 3.82 0.00 1.79 1.78 0.00 2.99 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 86 I 7.88 3.62 1.74 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.34 0.54 0.00 0.00 87 K 8.10 3.92 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.65 7.81 88 A 7.69 4.22 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 89 L 8.09 4.60 0.00 1.94 1.94 1.01 1.14 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 90 G 7.78 4.42 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 0.00 91 V 7.18 4.14 2.48 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 0.73 0.00 0.00 1.20 0.00 0.00 92 E 8.72 4.41 0.00 2.15 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 2.55 2.44 0.00 93 M 8.82 5.54 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.70 0.00 94 K 8.70 4.92 0.00 1.75 1.72 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.68 1.68 7.81 95 P 0.00 4.56 0.00 2.21 2.11 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 96 E 8.58 4.25 0.00 2.05 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 2.38 2.51 0.00 97 R 8.31 4.38 0.00 1.84 1.74 0.00 2.72 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.31 0.00 98 P 0.00 4.37 0.00 2.01 1.98 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 99 R 8.06 4.84 0.00 1.89 1.92 0.00 3.03 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 100 V 8.93 4.58 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 0.98 0.00 0.00 1.03 0.00 0.00 101 Q 8.41 4.13 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 102 G 9.00 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 0.00 0.00 0.00 0.00 103 E 7.69 4.26 0.00 2.05 1.96 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 2.37 2.37 0.00 104 G 8.37 4.68 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 0.00 105 R 8.36 5.00 0.00 1.68 1.79 0.00 3.35 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 106 S 8.75 4.94 0.00 3.55 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 0.00 107 I 8.58 4.62 1.86 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 1.23 0.79 0.96 0.00 0.00 108 Y 8.49 5.45 0.00 2.99 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 0.00 109 F 8.60 5.33 0.00 3.39 3.16 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 0.00 110 Y 9.06 5.65 0.00 2.94 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 0.00 111 D 8.52 4.12 0.00 1.66 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 0.00 0.00 0.00 112 F 7.77 4.81 0.00 3.02 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 0.00 113 D 8.58 4.87 0.00 2.65 2.55 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 0.00 114 N 8.46 4.22 0.00 2.95 2.92 0.00 0.00 7.12 8.16 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 0.00 115 H 8.23 4.62 0.00 3.49 2.73 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.26 4.28 0.00 1.58 1.31 0.34 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.76 5.01 0.00 1.80 2.63 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 0.00 0.00 0.00 118 E 8.97 5.11 0.00 2.05 1.78 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 2.05 1.70 0.00 119 L 8.83 5.20 0.00 1.56 1.39 0.17 0.65 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 0.00 120 H 9.42 5.32 0.00 3.33 3.11 0.00 5.76 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 0.00 121 A 9.58 5.11 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.46 4.09 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 0.00 123 T 8.12 4.48 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 0.00 124 L 8.20 3.92 0.00 1.78 1.71 0.91 0.75 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 0.00 125 E 8.15 3.94 0.00 2.02 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 2.44 0.00 126 E 7.98 4.13 0.00 2.19 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 2.34 0.00 127 R 7.97 4.01 0.00 1.89 2.16 0.00 3.31 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 128 L 8.12 4.75 0.00 1.77 1.81 0.98 0.60 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 0.00 129 K 7.66 4.07 0.00 1.90 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 130 R 7.92 4.30 0.00 1.86 2.06 0.00 3.19 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 131 Y 7.50 4.35 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.