NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 E 4.2056 8.4444 120.2224 55.8191 31.6918 175.0326 14 V 4.1503 7.7238 118.9887 61.4997 32.2725 173.7999 15 I 4.4694 9.1093 131.3071 59.7783 38.9943 174.9175 16 S 4.7950 8.6663 122.8077 57.9154 64.1720 173.6048 17 V 4.3284 8.4609 123.8833 61.9856 32.1567 175.2393 18 H 4.9850 9.8391 124.4150 55.8335 30.2269 174.7617 19 S 4.7560 7.5698 113.7447 55.8228 67.2747 174.7500 20 L 4.1258 8.5276 122.7718 57.9145 41.4266 179.4175 21 E 4.0265 8.2061 119.0195 59.3303 29.6996 178.4858 22 Q 4.0221 8.6192 120.1105 58.6741 29.0967 177.9382 23 W 4.1592 8.3044 129.5128 60.9442 30.7263 177.9914 24 T 3.8394 8.0393 115.2127 66.8456 67.8192 176.2374 25 M 3.9673 7.8865 119.5177 58.7443 32.3029 178.3317 26 Q 3.8603 7.9592 118.1247 58.8492 28.8429 178.8934 27 I 3.3674 7.2448 120.6266 64.2661 36.9088 178.1800 28 E 3.9014 7.9166 118.1245 59.7792 29.6032 178.5695 29 E 3.8907 8.3128 118.8783 59.4043 29.6448 178.4221 30 A 3.9644 8.2391 120.4421 55.5248 18.3976 179.4584 31 N 4.2768 8.2326 114.7763 56.8735 38.4060 177.7968 32 T 3.8939 7.7657 115.8072 66.0546 68.5658 175.6163 33 A 4.3264 7.7236 119.5897 50.9026 19.1953 176.7591 34 K 3.9865 7.6801 115.4587 56.2726 30.4664 175.2019 35 K 4.5450 7.7371 115.8335 54.9931 34.4287 176.5549 36 L 4.3918 8.2138 123.5359 54.4117 44.0442 175.2672 37 V 4.5653 8.5062 125.1557 61.0203 34.3063 174.0707 38 V 4.3841 8.2035 128.2500 61.0008 33.8698 174.2167 39 I 5.0025 8.8661 128.3875 59.4932 40.6282 173.8146 40 D 4.5545 8.6632 127.2619 52.3643 42.7203 175.0934 41 F 4.6960 8.6780 126.9708 56.7856 40.1042 175.4716 42 T 4.7292 8.9201 114.1653 59.8147 72.7494 172.9673 43 A 4.2780 7.8240 122.7461 50.5821 21.6936 177.9449 44 S 4.0234 8.6506 118.3394 60.3923 63.4681 175.1358 45 W 4.4547 7.2849 115.8767 56.6989 28.7556 175.3793 46 C 4.4542 7.1407 121.0738 57.9651 30.9221 173.7501 47 G 3.9304 8.8798 114.7015 48.0478 0.0000 172.2888 48 P 4.2794 0.0000 0.0000 64.9540 31.6361 178.4994 49 S 4.1403 7.8823 111.9474 61.2523 62.2563 176.1488 50 R 3.8773 7.8944 120.2729 59.6299 29.6445 178.6692 51 I 3.6823 7.2621 117.9313 64.8242 37.4381 177.6536 52 M 4.3674 8.0788 117.0234 56.4051 31.9948 178.0018 53 A 4.0658 8.1154 122.3810 55.0152 18.5766 177.6424 54 P 4.1940 0.0000 0.0000 65.8915 31.3747 179.0206 55 V 3.7546 7.8852 116.3267 65.8170 31.1423 177.6755 56 F 4.1939 8.1399 119.5613 60.9421 39.5183 176.9046 57 A 4.0091 8.7362 120.7889 55.2209 18.2686 179.4254 58 D 4.1943 8.5111 117.7464 57.4406 40.7173 178.7949 59 L 4.1238 7.5209 118.4103 56.6232 41.3233 179.1639 60 A 2.0000 6.5948 120.6793 53.8590 18.1672 179.2999 61 K 4.0236 7.4604 115.6589 59.0204 32.7339 178.6596 62 K 3.9809 7.4885 118.3646 58.3025 32.3446 176.3394 63 F 4.6620 7.7271 116.2228 55.2353 40.9533 172.2238 64 P 4.4903 0.0000 0.0000 65.1413 31.7526 178.0902 65 N 4.6370 8.3026 113.5897 53.7846 38.5828 174.0107 66 A 4.9218 7.5267 118.7657 49.9799 22.4699 175.7761 67 V 4.2633 8.6453 119.5713 61.1855 34.0041 174.6417 68 F 5.0515 8.8812 126.3630 56.0659 40.7863 174.3425 69 L 5.3384 8.7907 124.4093 52.7842 44.7083 175.5871 70 K 4.7287 8.9227 123.9244 54.5942 34.7985 174.8120 71 V 4.4676 8.3096 127.6602 60.8987 34.4135 173.7204 72 D 4.9361 8.4806 128.2735 53.1343 41.5876 177.3273 73 V 3.7703 8.7545 120.7340 64.4442 31.5558 177.7931 74 D 4.5650 8.5216 120.0956 56.9367 40.9632 177.4235 75 E 4.2516 8.3172 117.4602 58.0104 30.7978 176.7055 76 L 4.8567 7.8515 116.9603 52.5784 42.3720 177.3226 77 K 3.9120 8.0369 122.2596 59.3851 32.0442 175.5060 78 P 4.1790 0.0000 0.0000 65.8364 31.3156 178.5364 79 I 3.7031 7.7773 118.3158 63.8457 36.9744 178.4129 80 A 3.7269 7.7213 121.3531 55.1055 18.2724 179.2063 81 E 4.0243 8.1451 115.0491 58.4983 29.4861 178.6737 82 Q 4.0037 7.3836 118.6285 57.5306 29.1869 176.1116 83 F 4.5643 7.3274 114.9775 56.4773 39.8601 176.0258 84 S 3.4967 7.8602 114.3288 59.8092 59.6025 173.1882 85 V 4.0990 7.6937 117.6966 61.3638 32.3938 174.6191 86 E 4.5237 8.7132 125.4600 55.6991 31.4030 175.9640 87 A 4.8789 7.7296 120.5639 50.3091 21.8723 175.2526 88 M 4.6760 8.1486 118.8168 52.6870 35.6844 173.9585 89 P 4.7943 0.0000 0.0000 62.1743 33.7112 175.0705 90 T 4.8395 7.7057 116.2214 62.0239 72.6131 172.6073 91 F 5.1595 9.4521 126.0359 55.8324 41.2345 174.5511 92 L 5.0397 9.1624 126.2897 53.3243 44.8192 174.9883 93 F 5.1045 9.2807 124.3834 56.2503 41.2730 174.4787 94 M 5.2701 8.8194 123.2523 53.3873 36.0285 174.9621 95 K 4.1962 8.8370 115.4009 56.6630 36.4633 174.8168 96 E 3.6569 9.6170 126.2797 57.3834 26.8788 175.6462 97 G 4.1452 8.7074 108.9793 45.1711 0.0000 174.0781 98 D 4.9565 7.5498 118.6565 52.3378 42.5701 175.9418 99 V 4.2969 8.3860 123.0493 62.9986 32.1855 175.7367 100 K 4.4577 9.1522 126.9165 57.1615 33.5321 175.9202 101 D 4.6322 7.7257 118.4985 54.1351 44.3045 175.1178 102 R 5.4376 8.6005 117.4672 54.8621 32.8380 174.1532 103 V 4.4850 9.2722 121.8343 61.3016 33.9887 174.2217 104 V 4.4940 8.5537 128.0940 62.9782 32.7889 174.9055 105 G 3.8496 9.0364 113.8053 44.6590 0.0000 172.2313 106 A 4.5674 8.1240 119.7998 52.4680 18.5923 179.6130 107 I 4.1546 7.5425 123.1290 60.2302 35.7368 176.7171 108 K 3.7666 7.8154 121.8711 60.2463 31.6927 177.4998 109 E 4.0045 8.2033 117.6956 59.9270 29.7556 179.1632 110 E 4.0933 8.0452 118.3669 58.3922 29.7718 178.2382 111 L 4.0540 8.1757 121.3732 58.1784 42.1686 178.5350 112 T 3.9891 7.9298 114.4568 65.7551 68.7093 175.2959 113 A 4.4424 7.5277 121.4265 54.2374 20.0180 179.3277 114 K 3.9426 7.8765 116.2272 58.6852 31.9377 179.8649 115 V 4.0423 7.7963 120.0961 64.6627 31.3138 178.7102 116 G 3.5932 8.0201 106.5110 47.3354 0.0000 175.5136 117 L 3.9348 7.8617 121.2764 57.6039 42.1993 177.7066 118 H 4.5742 7.5300 113.1267 57.4713 29.5580 176.3717 119 A 4.1502 8.0388 122.6418 54.6329 18.3201 179.3150 120 A 4.0120 8.0524 119.1061 54.5855 19.0675 177.4718 *121 A 4.0567 7.7541 122.9398 52.4061 19.0383 176.3903 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 13 E 8.44 4.21 0.00 1.85 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 2.16 2.35 0.00 14 V 7.72 4.15 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 0.99 0.00 0.00 0.89 0.00 0.00 15 I 9.11 4.47 1.89 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 1.29 0.53 0.96 0.00 0.00 16 S 8.67 4.80 0.00 3.89 3.88 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 17 V 8.46 4.33 2.22 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 1.01 0.00 0.00 1.05 0.00 0.00 18 H 9.84 4.98 0.00 3.25 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.57 4.76 0.00 4.04 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 20 L 8.53 4.13 0.00 1.77 1.83 0.93 0.74 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 21 E 8.21 4.03 0.00 2.08 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 2.41 2.40 0.00 22 Q 8.62 4.02 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 23 W 8.30 4.16 0.00 3.54 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 24 T 8.04 3.84 4.43 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 0.00 0.00 0.00 1.28 0.00 0.00 25 M 7.89 3.97 0.00 2.15 2.05 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 2.59 2.70 0.00 26 Q 7.96 3.86 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 27 I 7.24 3.37 1.52 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.08 0.79 0.00 0.00 28 E 7.92 3.90 0.00 1.91 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 2.46 0.00 29 E 8.31 3.89 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 2.27 2.31 0.00 30 A 8.24 3.96 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 31 N 8.23 4.28 0.00 3.07 2.86 0.00 0.00 6.95 6.60 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 32 T 7.77 3.89 4.34 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 1.20 0.00 0.00 33 A 7.72 4.33 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 34 K 7.68 3.99 0.00 1.87 1.87 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.49 7.81 35 K 7.74 4.55 0.00 1.61 1.69 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.54 7.81 36 L 8.21 4.39 0.00 1.76 1.47 1.07 0.75 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 37 V 8.51 4.57 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 0.74 0.00 0.00 0.79 0.00 0.00 38 V 8.20 4.38 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 0.00 0.00 0.53 0.00 0.00 0.22 0.00 0.00 39 I 8.87 5.00 1.87 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.38 0.00 0.00 40 D 8.66 4.55 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 41 F 8.68 4.70 0.00 2.89 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 42 T 8.92 4.73 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 1.07 0.00 0.00 43 A 7.82 4.28 0.04 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 44 S 8.65 4.02 0.00 3.98 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 45 W 7.28 4.45 0.00 3.51 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 46 C 7.14 4.45 0.00 1.97 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 47 G 8.88 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 48 P 0.00 4.28 0.00 2.01 2.15 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 49 S 7.88 4.14 0.00 3.68 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 50 R 7.89 3.88 0.00 2.00 1.97 0.00 3.20 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 51 I 7.26 3.68 2.05 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 1.54 0.62 0.94 0.00 0.00 52 M 8.08 4.37 0.00 2.43 2.38 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.96 0.00 53 A 8.12 4.07 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 54 P 0.00 4.19 0.00 2.19 2.14 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 55 V 7.89 3.75 2.30 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 1.03 0.00 0.00 0.96 0.00 0.00 56 F 8.14 4.19 0.00 3.30 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 57 A 8.74 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.51 4.19 0.00 2.80 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 59 L 7.52 4.12 0.00 1.53 1.61 0.98 0.85 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 60 A 6.59 2.00 0.78 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 0.00 0.00 61 K 7.46 4.02 0.00 1.73 1.78 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.35 7.81 62 K 7.49 3.98 0.00 1.87 2.17 0.00 1.79 0.00 0.00 1.95 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.97 1.32 7.81 63 F 7.73 4.66 0.00 3.18 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 64 P 0.00 4.49 0.00 2.24 2.30 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 65 N 8.30 4.64 0.00 2.81 2.95 0.00 0.00 6.63 7.35 0.00 0.00 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 7.53 4.92 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 67 V 8.65 4.26 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 1.00 0.00 0.00 0.87 0.00 0.00 68 F 8.88 5.05 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 5.34 0.00 1.62 1.59 0.65 0.59 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 70 K 8.92 4.73 0.00 1.86 1.64 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.22 7.81 71 V 8.31 4.47 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 0.77 0.00 0.00 0.71 0.00 0.00 72 D 8.48 4.94 0.00 2.76 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 73 V 8.75 3.77 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 0.80 0.00 0.00 1.01 0.00 0.00 74 D 8.52 4.56 0.00 2.92 2.82 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 75 E 8.32 4.25 0.00 2.07 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 2.28 2.32 0.00 76 L 7.85 4.86 0.00 1.64 1.52 1.01 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.04 3.91 0.00 1.92 1.82 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.56 7.81 78 P 0.00 4.18 0.00 2.16 2.07 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 79 I 7.78 3.70 1.86 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.63 0.33 0.00 0.00 80 A 7.72 3.73 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 81 E 8.15 4.02 0.00 1.88 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 2.30 2.28 0.00 82 Q 7.38 4.00 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.27 0.00 0.00 0.00 0.00 0.00 1.78 1.23 0.00 83 F 7.33 4.56 0.00 2.87 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 84 S 7.86 3.50 0.00 3.97 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 85 V 7.69 4.10 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 0.44 0.00 0.00 0.31 0.00 0.00 86 E 8.71 4.52 0.00 1.94 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 2.16 2.22 0.00 87 A 7.73 4.88 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 88 M 8.15 4.68 0.00 1.67 1.67 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 2.48 2.33 0.00 89 P 0.00 4.79 0.00 1.48 1.91 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.85 0.00 90 T 7.71 4.84 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 1.16 0.00 0.00 91 F 9.45 5.16 0.00 3.01 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 92 L 9.16 5.04 0.00 1.91 1.56 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 93 F 9.28 5.10 0.00 3.17 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 94 M 8.82 5.27 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 95 K 8.84 4.20 0.00 1.83 1.63 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.43 7.81 96 E 9.62 3.66 0.00 2.22 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 2.30 2.24 0.00 97 G 8.71 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 0.00 0.00 0.00 98 D 7.55 4.96 0.00 2.78 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 99 V 8.39 4.30 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 0.97 0.00 0.00 1.16 0.00 0.00 100 K 9.15 4.46 0.00 1.67 1.91 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.58 7.81 101 D 7.73 4.63 0.00 2.68 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 0.00 0.00 0.00 102 R 8.60 5.44 0.00 2.08 1.96 0.00 3.08 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 103 V 9.27 4.48 2.45 0.00 0.00 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 1.18 0.00 0.00 104 V 8.55 4.49 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 0.86 0.00 0.00 0.97 0.00 0.00 105 G 9.04 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 0.00 106 A 8.12 4.57 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 0.00 107 I 7.54 4.15 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 1.46 0.82 0.94 0.00 0.00 108 K 7.82 3.77 0.00 1.80 1.83 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.60 7.81 109 E 8.20 4.00 0.00 2.02 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 2.42 2.40 0.00 110 E 8.05 4.09 0.00 2.04 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 0.00 2.32 2.32 0.00 111 L 8.18 4.05 0.00 1.58 1.76 0.51 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.93 3.99 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 1.26 0.00 0.00 113 A 7.53 4.44 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 0.00 114 K 7.88 3.94 0.00 1.84 1.40 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.56 7.81 115 V 7.80 4.04 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 0.78 0.00 0.00 0.62 0.00 0.00 116 G 8.02 3.59 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 0.00 0.00 0.00 117 L 7.86 3.93 0.00 1.56 1.59 0.84 0.84 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 0.00 118 H 7.53 4.57 0.00 3.15 3.35 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.04 4.15 1.09 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 0.00 120 A 8.05 4.01 1.52 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 0.00 0.00 *121 A 7.75 4.06 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 * Residues marked with a * may have inaccurate shift predictions.