NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1751 8.2531 123.5810 51.9593 20.2129 174.3184 3 G 3.6764 8.2076 113.3137 44.9727 0.0000 171.5235 4 D 4.4999 7.9678 119.7910 53.2701 42.6025 172.9068 5 T 4.7408 8.0690 107.9921 60.7394 71.4081 172.9731 6 T 4.9111 8.0326 111.8627 60.5396 71.8992 172.7015 7 I 4.7511 9.5328 124.3096 59.6781 42.1342 173.6023 8 T 5.3444 8.5613 123.7756 61.7438 71.2258 173.3990 9 I 4.7646 8.9368 119.0126 59.1126 41.5507 174.2186 10 V 5.1967 7.4566 123.0635 60.5201 34.2448 174.7876 11 G 4.0689 7.8747 112.6009 46.3688 0.0000 170.9190 12 N 5.7342 8.1183 116.4920 51.0272 42.0187 174.7555 13 L 4.7076 8.9568 124.0443 55.3859 42.0976 178.5296 14 T 4.2221 8.8209 114.5389 64.5149 69.4266 174.2325 15 A 4.5754 7.8345 121.9920 50.5403 22.0657 175.1044 16 D 4.3598 8.6261 119.1697 54.0289 41.2638 175.3595 17 P 4.0644 0.0000 0.0000 63.5543 31.5464 176.2630 18 E 4.3356 8.3329 123.6877 55.3299 29.1790 175.5234 19 L 4.5091 8.1763 126.3139 54.7867 43.6350 175.2551 20 R 4.5780 8.0312 119.6489 55.8046 33.3346 172.8399 21 F 5.3256 8.7753 117.3635 56.0328 43.4384 173.7500 22 T 4.7427 8.1481 108.7730 59.4407 71.3375 174.8366 23 S 4.1357 8.8463 116.5427 62.0678 62.8466 176.6596 24 S 4.2035 8.1277 115.3330 59.9019 62.7995 175.2518 25 G 3.9508 8.4933 106.8487 45.0647 0.0000 172.7685 26 A 4.2411 8.0279 123.2759 51.1671 19.0995 177.1902 27 A 3.9589 8.7322 125.9304 51.8978 19.7209 176.1796 28 V 4.2462 8.4458 123.1712 60.7919 34.7003 174.5171 29 V 5.1581 8.2902 126.4762 60.1105 34.6013 173.7653 30 N 5.6274 8.6190 123.3400 51.5280 42.3278 173.2385 31 F 5.2390 8.3171 116.6170 56.1100 42.1626 172.9408 32 T 5.1021 8.7213 115.8194 61.8863 71.7774 173.1361 33 V 4.8041 8.9383 125.8209 61.3168 33.9781 174.3123 34 A 4.4422 9.1976 130.5630 50.5589 20.2777 175.2865 35 S 4.9626 8.6337 117.4281 57.1946 65.4102 173.0426 36 T 4.7581 8.3180 117.0479 58.9462 69.6892 171.9634 37 P 4.3163 0.0000 0.0000 62.9023 33.0552 175.9178 38 R 3.3009 8.6802 116.9170 58.1560 27.0532 176.9929 *46 E 4.2623 8.6110 119.8115 55.2458 31.8957 173.6843 *47 W 4.1944 8.0517 120.5426 57.8896 29.3995 183.1052 48 K 3.6731 8.2935 116.8560 57.0841 29.6082 173.1871 49 D 4.7416 8.2141 112.8949 55.4891 44.6674 176.0677 50 G 4.1618 8.3673 113.8148 44.3932 0.0000 173.8466 51 E 4.6504 8.6089 121.9790 54.3934 32.8920 172.6003 52 A 4.0062 8.7207 126.6044 51.4464 19.1859 176.0667 53 L 4.7114 9.1564 124.0688 53.1775 44.9013 175.1360 54 F 5.1422 8.9897 124.0954 55.8578 41.4323 174.3790 55 L 4.7790 8.6200 124.4537 52.7202 44.4520 175.9515 56 R 4.5973 8.5410 124.2748 56.0850 31.6571 174.7181 57 C 5.2066 8.8262 123.1504 57.8477 32.5820 172.5352 58 N 5.3961 8.9684 118.7676 51.4946 41.6073 173.4152 59 I 5.1070 8.7880 122.9690 59.0833 41.6181 174.0038 60 W 5.0696 8.8686 126.8307 55.7630 32.3927 177.5846 61 R 3.6873 8.7143 120.4299 57.9600 28.9190 177.6965 62 E 3.8331 8.7498 118.4777 60.3379 30.0113 179.7431 63 A 3.9929 8.1410 120.1658 55.1019 18.5451 179.1459 64 A 3.9257 8.0322 119.2070 55.3256 18.4268 179.5743 65 E 3.8515 8.1150 116.4079 59.7376 29.5493 179.1963 66 N 4.2873 8.1243 116.2365 56.2601 38.6195 177.2782 67 V 3.4550 7.9036 119.5254 66.1667 31.2783 177.7437 68 A 3.9073 7.6648 118.5605 55.2953 18.2949 178.9159 69 E 3.9936 8.0680 116.3790 59.1746 29.7631 178.7462 70 S 4.3378 8.0754 114.1490 59.9938 63.7584 174.8736 71 L 4.3979 7.4397 120.3821 53.9891 42.5177 175.9566 72 T 4.6940 7.7952 110.2616 59.5315 71.9840 173.4972 73 R 3.9592 9.0446 117.8455 57.1910 29.8359 178.0667 74 G 3.9271 9.0237 106.3143 45.8241 0.0000 174.1573 75 A 4.1321 7.4990 122.9736 51.9786 19.8675 176.5042 76 R 4.9870 8.5816 122.1663 55.1932 31.8960 175.5362 77 V 5.0021 9.2503 119.0633 59.5926 36.7042 174.5643 78 I 4.9032 9.1185 122.3059 59.7084 40.2582 175.0246 79 V 5.0485 9.3646 127.2945 61.1916 34.7990 174.2940 80 T 5.0334 8.7874 116.3061 60.1500 72.2746 174.0229 81 G 4.1105 8.4249 109.3270 46.1397 0.0000 172.1627 82 R 4.9282 7.8099 115.5122 54.6211 32.5944 175.0990 83 L 5.0351 8.3826 119.9606 53.8248 42.7969 176.4666 84 K 4.6710 9.3212 123.4448 54.6945 36.2373 174.2965 85 Q 5.1862 8.7707 128.7573 54.9997 31.2729 175.5183 86 R 4.2757 9.8701 128.3354 55.6775 30.1964 173.6758 87 S 3.2576 8.8782 126.5704 59.5150 62.2984 176.6780 *95 K 4.2352 8.3376 120.4900 55.0082 31.9606 172.8319 96 R 4.7784 7.6922 118.2289 54.3693 32.8103 175.4584 97 T 5.6461 8.5932 110.3106 59.2142 71.5470 173.5017 98 V 4.5429 7.9663 121.3291 60.1280 35.2176 173.9671 99 V 4.2959 8.4230 123.5997 62.7059 32.3570 174.7023 100 E 4.9506 10.0224 127.2166 54.5935 34.4386 174.4684 101 V 4.6262 8.6162 121.1133 61.5187 33.5502 174.9787 102 E 4.6106 8.9198 128.8976 54.4619 28.5515 174.8205 103 V 3.6710 8.0852 121.5821 64.1244 31.7975 174.3081 104 D 4.8354 10.4030 126.7576 55.6594 42.5555 176.1679 105 E 4.9174 8.0161 115.2621 54.9826 34.2754 174.3326 106 I 5.2913 7.6972 120.6407 60.7236 41.2586 173.6977 107 G 4.2309 8.3165 112.9016 44.6259 0.0000 170.1666 108 P 4.9840 0.0000 0.0000 61.6268 32.0624 176.4253 109 S 4.0652 8.5796 120.8857 58.2151 62.7913 173.7240 110 L 4.6746 8.2913 126.8489 54.9489 41.8274 177.8832 111 R 3.8538 7.5386 122.0913 58.8282 30.0113 176.7594 112 Y 4.9396 7.5283 111.9326 56.9823 39.4398 174.0091 113 A 4.5539 7.6704 121.4867 51.8483 21.9775 175.8047 114 T 4.7215 8.1537 108.5511 60.0445 71.7772 173.2843 115 A 4.5663 8.1780 125.6960 51.3245 22.1003 176.5680 116 K 4.3337 8.5566 123.8058 53.5254 32.7967 175.0063 117 V 4.3064 8.1975 123.6555 60.0609 33.2056 174.5909 118 N 4.7903 8.3796 124.0243 51.3524 40.2522 173.9959 119 K 4.2487 8.4652 124.7502 56.5743 33.0364 177.3241 120 A 4.1876 8.1101 121.8713 52.7968 19.0787 176.2269 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 8.25 4.18 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 3 G 8.21 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 4 D 7.97 4.50 0.00 2.73 2.62 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 5 T 8.07 4.74 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 1.21 0.00 0.00 6 T 8.03 4.91 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 1.25 0.00 0.00 7 I 9.53 4.75 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 1.23 1.45 0.96 0.00 0.00 8 T 8.56 5.34 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 1.27 0.00 0.00 9 I 8.94 4.76 1.88 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 1.14 0.99 0.91 0.00 0.00 10 V 7.46 5.20 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 0.78 0.00 0.00 0.93 0.00 0.00 11 G 7.87 4.07 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 0.00 0.00 0.00 12 N 8.12 5.73 0.00 2.64 2.74 0.00 0.00 7.46 6.89 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 13 L 8.96 4.71 0.00 1.56 1.79 0.76 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.82 4.22 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 1.49 0.00 0.00 15 A 7.83 4.58 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 16 D 8.63 4.36 0.00 2.67 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 17 P 0.00 4.06 0.00 1.97 1.94 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 18 E 8.33 4.34 0.00 2.11 1.89 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 2.31 2.27 0.00 19 L 8.18 4.51 0.00 1.55 1.49 0.65 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.03 4.58 0.00 1.87 1.90 0.00 2.71 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.47 0.00 21 F 8.78 5.33 0.00 2.82 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 22 T 8.15 4.74 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 1.15 0.00 0.00 23 S 8.85 4.14 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 24 S 8.13 4.20 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.49 3.95 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 0.00 0.00 0.00 26 A 8.03 4.24 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.73 3.96 1.10 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 0.00 0.00 28 V 8.45 4.25 1.60 0.00 0.00 0.00 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 -0.05 0.00 0.00 29 V 8.29 5.16 2.14 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 1.40 0.00 0.00 0.89 0.00 0.00 30 N 8.62 5.63 0.00 2.60 2.57 0.00 0.00 6.62 8.13 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 31 F 8.32 5.24 0.00 3.09 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 32 T 8.72 5.10 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 1.44 0.00 0.00 33 V 8.94 4.80 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 0.99 0.00 0.00 1.14 0.00 0.00 34 A 9.20 4.44 1.01 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 35 S 8.63 4.96 0.00 3.92 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.76 4.21 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 1.14 0.00 0.00 37 P 0.00 4.32 0.00 2.13 2.21 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 38 R 8.68 3.30 0.00 1.90 1.96 0.00 3.24 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 *46 E 8.61 4.26 0.00 2.01 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 2.13 1.88 0.00 *47 W 8.05 4.19 0.00 2.51 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 0.00 0.00 0.00 48 K 8.29 3.67 0.00 1.89 1.65 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 0.97 7.81 49 D 8.21 4.74 0.00 2.59 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 50 G 8.37 4.16 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 0.00 0.00 0.00 51 E 8.61 4.65 0.00 1.70 1.70 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 2.11 1.85 0.00 52 A 8.72 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 9.16 4.71 0.00 1.66 1.62 0.95 0.82 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 54 F 8.99 5.14 0.00 2.90 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 55 L 8.62 4.78 0.00 1.58 1.53 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.54 4.60 0.00 1.92 1.74 0.00 3.13 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.60 0.00 57 C 8.83 5.21 0.00 1.46 2.42 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 58 N 8.97 5.40 0.00 2.85 2.75 0.00 0.00 6.51 7.78 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 59 I 8.79 5.11 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.65 1.15 0.00 0.00 60 W 8.87 5.07 0.00 3.11 3.13 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 61 R 8.71 3.69 0.00 2.09 1.94 0.00 3.33 0.00 0.00 3.18 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 62 E 8.75 3.83 0.00 2.12 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 2.41 2.52 0.00 63 A 8.14 3.99 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 64 A 8.03 3.93 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 65 E 8.11 3.85 0.00 2.18 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 2.37 2.62 0.00 66 N 8.12 4.29 0.00 2.91 2.86 0.00 0.00 6.71 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 67 V 7.90 3.45 2.16 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 0.65 0.00 0.00 0.97 0.00 0.00 68 A 7.66 3.91 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 69 E 8.07 3.99 0.00 1.97 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 2.31 2.35 0.00 70 S 8.08 4.34 0.00 3.86 3.86 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 71 L 7.44 4.40 0.00 1.42 1.47 0.73 0.74 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 72 T 7.80 4.69 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 1.19 0.00 0.00 73 R 9.04 3.96 0.00 1.98 2.33 0.00 2.89 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 74 G 9.02 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 0.00 0.00 0.00 75 A 7.50 4.13 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 76 R 8.58 4.99 0.00 2.07 1.87 0.00 3.37 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 77 V 9.25 5.00 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 0.64 0.00 0.00 1.02 0.00 0.00 78 I 9.12 4.90 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.12 0.91 0.00 0.00 79 V 9.36 5.05 2.16 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 1.26 0.00 0.00 1.08 0.00 0.00 80 T 8.79 5.03 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 81 G 8.42 4.11 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 0.00 82 R 7.81 4.93 0.00 1.91 2.14 0.00 2.93 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 1.58 1.62 0.00 83 L 8.38 5.04 0.00 1.55 1.62 0.92 0.69 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 84 K 9.32 4.67 0.00 1.72 1.58 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.35 7.81 85 Q 8.77 5.19 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 86 R 9.87 4.28 0.00 1.37 1.82 0.00 3.47 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 87 S 8.88 3.26 0.00 3.95 3.44 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 *95 K 8.34 4.24 0.00 1.80 1.68 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 96 R 7.69 4.78 0.00 1.85 1.86 0.00 3.10 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 97 T 8.59 5.65 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 1.21 0.00 0.00 98 V 7.97 4.54 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 0.77 0.00 0.00 0.93 0.00 0.00 99 V 8.42 4.30 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 0.80 0.00 0.00 0.93 0.00 0.00 100 E 10.02 4.95 0.00 1.76 1.76 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 2.19 2.21 0.00 101 V 8.62 4.63 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 1.12 0.00 0.00 0.91 0.00 0.00 102 E 8.92 4.61 0.00 1.94 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 2.31 2.37 0.00 103 V 8.09 3.67 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 0.91 0.00 0.00 1.03 0.00 0.00 104 D 10.40 4.84 0.00 2.72 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 0.00 105 E 8.02 4.92 0.00 1.92 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 2.24 2.40 0.00 106 I 7.70 5.29 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.35 0.93 0.00 0.00 107 G 8.32 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 0.00 108 P 0.00 4.98 0.00 1.94 1.99 0.00 3.67 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 2.00 2.04 0.00 109 S 8.58 4.07 0.00 3.88 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 0.00 110 L 8.29 4.67 0.00 1.63 1.63 0.90 0.96 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 0.00 111 R 7.54 3.85 0.00 1.47 1.51 0.00 2.95 0.00 0.00 2.84 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 112 Y 7.53 4.94 0.00 2.98 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 0.00 113 A 7.67 4.55 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 0.00 114 T 8.15 4.72 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 1.22 0.00 0.00 115 A 8.18 4.57 1.20 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 0.00 0.00 116 K 8.56 4.33 0.00 1.79 1.61 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 0.99 7.81 117 V 8.20 4.31 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 0.94 0.00 0.00 0.92 0.00 0.00 118 N 8.38 4.79 0.00 2.64 2.67 0.00 0.00 7.10 6.68 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 0.00 119 K 8.47 4.25 0.00 1.79 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.44 7.81 120 A 8.11 4.19 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.