NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3737 0.0000 0.0000 62.2643 32.9990 176.7340 3 T 3.5894 8.1263 107.5838 62.6819 69.5570 173.7358 4 I 3.5875 8.2487 127.6257 63.9807 38.1439 178.2108 5 N 4.2556 8.1537 116.5323 57.0276 38.9252 176.1713 6 Q 4.1187 8.7682 119.8173 59.3056 28.8029 179.0798 7 L 4.1077 8.0011 119.0251 57.5633 41.3384 179.9481 8 V 3.6281 7.3069 117.4569 64.7782 31.7824 177.7027 9 R 3.9589 8.3072 116.6695 57.0948 29.4420 178.4032 10 K 4.1059 8.9416 123.3345 59.8862 33.2112 174.1549 11 G 4.0169 7.5544 112.4554 44.4440 0.0000 173.8451 12 R 4.0749 8.3888 120.6950 55.8371 30.8387 175.5656 13 E 4.5522 8.3482 121.2297 54.0458 31.3172 175.4104 14 K 4.1402 8.4935 127.5047 55.9327 32.6061 176.3569 15 V 3.3894 8.2420 120.7386 63.3065 31.7732 173.0082 16 R 3.7268 7.8600 133.3575 55.4055 28.7047 176.0148 17 K 4.3133 8.2672 124.0475 55.9004 33.8041 177.1547 18 K 4.0985 8.2242 119.7870 56.2044 33.0381 176.9835 19 S 4.2920 8.4469 117.0273 57.5384 62.2589 174.5271 20 K 4.1188 8.6377 127.5984 57.0037 31.8993 176.5186 21 V 4.0588 7.2387 113.3797 62.6588 35.3433 171.9612 22 P 4.5638 0.0000 0.0000 61.7314 29.7793 176.7230 23 A 4.2463 7.7927 118.4005 51.6051 19.5129 178.2466 24 L 3.1594 7.8436 116.0549 55.0916 41.3990 174.3316 25 K 3.7018 9.0991 113.0762 56.5778 29.8768 175.6325 26 G 3.9086 7.6974 104.5596 46.3178 0.0000 173.5399 27 A 4.5801 7.9628 122.1821 49.5619 20.7336 176.6639 28 P 4.0610 0.0000 0.0000 64.7384 31.6186 177.2277 29 F 5.3012 7.5452 114.0031 55.5801 42.9149 173.7618 30 R 4.7238 8.3394 123.3312 54.7023 33.4516 175.1270 31 R 5.0373 8.7951 125.9620 55.4005 32.4651 174.7729 32 G 4.2096 7.0820 108.6953 46.3921 0.0000 171.5233 33 V 5.2767 8.0687 119.4113 60.1595 35.3394 173.9844 34 C 5.5971 8.6380 122.6523 58.2419 29.0228 174.5871 35 T 3.8915 8.7629 115.2526 64.2215 69.0918 174.9029 36 V 4.5010 7.7200 120.3718 59.7667 35.3972 175.2457 37 V 4.7086 7.8923 123.6778 62.0516 30.7399 175.3555 38 R 4.3078 7.6490 121.4021 57.6702 31.2702 174.4584 39 T 4.8542 8.1132 110.1991 61.9315 70.5749 174.2045 40 V 4.7550 9.0778 121.5919 60.1411 36.4581 173.6729 41 T 5.0950 8.3503 110.4324 59.4759 70.9036 172.4989 42 P 4.7288 0.0000 0.0000 62.4813 33.0639 177.9575 43 K 4.6706 8.6585 128.9081 56.4507 30.8963 178.5077 44 K 3.7400 7.6834 110.5437 56.5287 33.1308 173.3303 45 P 4.8741 0.0000 0.0000 62.1838 33.1737 175.0906 46 N 4.5912 7.9791 117.1949 52.8830 39.3092 174.3512 47 S 4.5770 8.3153 116.1484 56.7331 65.3325 172.3352 48 A 4.3121 8.1584 131.9832 52.0711 21.5906 176.5945 49 L 4.8169 8.2514 114.7104 54.1063 44.2704 176.1261 50 R 4.2752 9.0137 123.5866 55.9088 31.9325 176.4493 51 K 4.6707 8.7004 122.6100 55.6427 32.5412 175.7410 52 V 4.7851 7.9200 124.7299 60.8246 34.9183 174.7021 53 A 4.7997 9.2853 126.6320 50.2273 22.3721 175.8163 54 K 4.6644 8.9530 122.6779 56.3993 33.8516 176.5066 55 V 4.9091 9.0667 122.4150 61.5867 35.7443 173.4594 56 R 4.7044 9.4632 128.3370 55.1370 31.5014 176.1752 57 L 4.8546 8.5002 127.2517 53.8653 44.0949 177.4346 58 T 4.4249 7.6893 110.0394 58.7675 67.2071 173.7938 59 S 4.6896 7.9747 120.1704 58.4987 65.1293 179.2300 60 G 4.0771 8.6403 110.6619 46.2666 0.0000 173.7330 61 Y 4.2312 7.7024 117.3606 58.2719 38.5058 174.7807 62 E 5.8151 8.0303 119.8280 57.2047 31.1043 174.2943 63 V 4.5924 7.8429 120.2843 59.4049 35.4411 173.9484 64 T 4.8144 8.4817 110.7690 61.0710 70.4033 174.2412 65 A 5.0536 9.3280 126.0404 50.2682 22.4156 174.7498 66 Y 4.3266 9.6802 125.2241 57.8097 40.2725 174.9572 67 I 4.3277 6.9145 127.9123 58.5457 36.2807 173.2940 68 P 4.5097 0.0000 0.0000 63.8718 32.2227 176.7733 69 G 3.7449 9.1442 107.0113 44.3455 0.0000 171.5958 70 E 4.2179 8.4740 120.8961 54.9454 29.8127 177.4336 71 G 3.8496 8.5527 117.5071 44.3133 0.0000 170.7169 72 H 4.3170 7.5344 112.7334 55.9371 29.4924 172.6815 73 N 4.3093 7.8228 115.7274 51.2558 38.4532 175.8029 74 L 3.4597 7.1385 122.1908 54.5198 38.2894 173.9040 75 Q 4.6996 7.7876 123.6405 52.9813 32.1555 174.8710 76 E 4.1679 8.3618 120.0337 58.2715 29.9195 176.0748 77 H 4.2008 8.5512 122.5787 56.1573 26.5878 174.3085 78 S 4.6775 7.6855 114.2587 56.9029 62.7779 173.1979 79 V 4.2554 8.2426 126.6032 63.0408 32.9434 175.4967 80 V 4.8873 8.9260 118.9192 61.3435 37.1304 170.8078 81 L 5.0194 8.2540 122.2779 53.8996 44.6928 175.3742 82 I 4.8896 8.6410 126.2252 59.9787 38.8604 176.1535 83 R 4.4094 9.4558 126.9287 55.4971 31.6800 174.5229 84 G 3.9655 8.4355 111.1353 45.2234 0.0000 171.3243 85 G 2.9512 8.4415 109.7287 43.6180 0.0000 173.5240 86 R 4.5923 7.6236 123.4655 55.2980 29.2332 175.9673 87 V 4.0338 8.0514 116.7020 61.8709 32.9911 174.4811 88 K 3.5882 8.1566 127.5567 60.5849 32.7616 176.6175 89 D 4.4664 8.0811 118.3934 56.8008 41.5448 176.1659 90 L 4.6841 7.2783 119.6449 51.9037 40.6063 172.0939 91 P 4.4467 0.0000 0.0000 65.6566 30.4421 174.6297 92 G 3.4870 9.0475 115.5354 45.3986 0.0000 172.2785 93 V 3.5958 7.3229 123.2932 63.1566 32.4878 175.7538 94 R 4.6546 8.6654 125.1409 55.6888 32.4813 174.3711 95 Y 5.2185 7.7429 116.2872 56.9737 42.6316 173.5803 96 H 5.4575 9.1184 120.0914 54.3434 31.7213 173.8431 97 I 4.4998 9.0633 123.9479 60.7384 38.1566 176.4035 98 V 3.8156 8.8284 127.7948 62.0303 31.0386 175.9358 99 R 4.1027 8.4217 127.5280 56.1629 30.8525 176.2969 100 G 4.0282 8.4640 104.3605 46.0065 0.0000 173.7325 101 V 4.0564 7.6395 116.7448 62.6197 34.7245 174.3753 102 Y 3.7343 8.5386 123.5286 58.7670 37.1802 170.3556 103 D 4.3160 7.8170 114.7947 58.1492 41.1162 177.4758 104 A 4.1126 7.9070 122.0349 51.3636 18.2716 177.2222 105 A 4.4052 8.2564 126.2445 51.7271 19.7661 176.6107 106 G 4.2181 8.0950 106.2289 44.4326 0.0000 174.0830 107 V 3.8810 7.5847 121.0191 63.3540 32.0131 175.1247 108 K 4.4387 8.5266 124.4404 54.5172 35.1286 175.1261 109 D 4.2237 8.5831 119.8341 54.9795 38.6223 174.4082 110 R 4.2924 7.2932 117.3158 56.0732 30.8163 176.0274 111 K 4.6154 8.1899 117.5449 55.8202 35.9096 177.2960 112 K 3.9933 7.9735 118.2027 58.0402 31.5675 178.6978 113 S 4.5060 9.1620 114.2249 61.4467 63.5387 178.3348 114 R 3.6910 9.0524 123.2398 59.4083 30.2524 178.2601 115 S 4.1717 8.4988 112.3416 61.3450 62.2835 174.5191 116 K 4.2448 7.8344 117.9698 57.3378 32.2847 177.3039 117 Y 3.5321 8.2692 117.7336 56.9720 35.7909 168.2337 118 G 3.9521 7.6893 106.5272 46.5156 0.0000 172.6332 119 T 4.8218 7.9752 118.8228 61.7522 72.9816 173.5062 120 K 4.6030 8.1233 120.9894 54.0699 34.8648 176.3765 121 K 4.0523 8.4652 122.8108 55.4744 32.2576 175.2439 122 P 4.4145 0.0000 0.0000 62.4113 31.8908 175.9937 123 K 4.1995 8.1889 120.3522 56.1953 33.3735 177.2793 124 E 4.2879 8.7808 123.0960 57.8222 28.0183 178.1662 125 A 3.6500 6.9306 125.1475 52.2053 18.0034 177.7377 *126 A 4.1172 7.8199 125.3078 51.7450 18.9464 177.1319 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 P 0.00 4.37 0.00 2.06 2.12 0.00 3.69 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 1.92 2.08 0.00 3 T 8.13 3.59 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 4 I 8.25 3.59 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 1.52 1.36 0.91 0.00 0.00 5 N 8.15 4.26 0.00 2.71 2.86 0.00 0.00 6.97 7.08 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 6 Q 8.77 4.12 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 7 L 8.00 4.11 0.00 1.84 1.74 0.97 0.80 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 8 V 7.31 3.63 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 0.83 0.00 0.00 0.98 0.00 0.00 9 R 8.31 3.96 0.00 1.89 1.70 0.00 3.25 0.00 0.00 3.22 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 10 K 8.94 4.11 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.56 7.81 11 G 7.55 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.39 4.07 0.00 1.81 1.87 0.00 3.34 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 13 E 8.35 4.55 0.00 1.90 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 2.20 2.26 0.00 14 K 8.49 4.14 0.00 1.75 1.70 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.40 7.81 15 V 8.24 3.39 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 0.72 0.00 0.00 0.93 0.00 0.00 16 R 7.86 3.73 0.00 1.94 1.98 0.00 3.23 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 17 K 8.27 4.31 0.00 1.89 1.78 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.44 7.81 18 K 8.22 4.10 0.00 1.74 1.78 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 S 8.45 4.29 0.00 3.85 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 20 K 8.64 4.12 0.00 1.72 1.74 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.38 7.81 21 V 7.24 4.06 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 0.97 0.00 0.00 0.46 0.00 0.00 22 P 0.00 4.56 0.00 2.52 2.13 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 23 A 7.79 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 24 L 7.84 3.16 0.00 1.71 1.46 0.21 0.55 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 25 K 9.10 3.70 0.00 1.81 1.82 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.38 7.81 26 G 7.70 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 27 A 7.96 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 28 P 0.00 4.06 0.00 1.48 1.61 0.00 3.52 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 1.90 1.94 0.00 29 F 7.55 5.30 0.00 3.05 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 30 R 8.34 4.72 0.00 2.03 1.72 0.00 3.08 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 31 R 8.80 5.04 0.00 2.00 1.90 0.00 3.19 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 32 G 7.08 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 0.00 0.00 0.00 0.00 33 V 8.07 5.28 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 1.39 0.00 0.00 0.93 0.00 0.00 34 C 8.64 5.60 0.00 2.90 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 35 T 8.76 3.89 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 1.26 0.00 0.00 36 V 7.72 4.50 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 0.96 0.00 0.00 0.93 0.00 0.00 37 V 7.89 4.71 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 0.93 0.00 0.00 0.95 0.00 0.00 38 R 7.65 4.31 0.00 1.95 1.87 0.00 3.29 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 39 T 8.11 4.85 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 1.23 0.00 0.00 40 V 9.08 4.76 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 0.84 0.00 0.00 0.99 0.00 0.00 41 T 8.35 5.09 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 1.29 0.00 0.00 42 P 0.00 4.73 0.00 2.31 2.12 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 43 K 8.66 4.67 0.00 1.83 1.20 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.37 7.81 44 K 7.68 3.74 0.00 1.76 1.54 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.49 7.81 45 P 0.00 4.87 0.00 2.15 2.08 0.00 3.54 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 1.86 2.05 0.00 46 N 7.98 4.59 0.00 2.73 2.79 0.00 0.00 6.69 7.57 0.00 0.00 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 S 8.32 4.58 0.00 3.77 3.71 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 48 A 8.16 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.25 4.82 0.00 1.51 1.61 0.94 0.87 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 50 R 9.01 4.28 0.00 1.99 2.21 0.00 3.39 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 51 K 8.70 4.67 0.00 1.59 1.70 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.54 7.81 52 V 7.92 4.79 2.15 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 0.89 0.00 0.00 1.16 0.00 0.00 53 A 9.29 4.80 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 54 K 8.95 4.66 0.00 1.74 1.73 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.40 7.81 55 V 9.07 4.91 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 0.91 0.00 0.00 0.95 0.00 0.00 56 R 9.46 4.70 0.00 1.86 1.77 0.00 3.13 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 57 L 8.50 4.85 0.00 1.70 1.61 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.69 4.42 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 59 S 7.97 4.69 0.00 3.82 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 60 G 8.64 4.08 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 0.00 0.00 0.00 61 Y 7.70 4.23 0.00 2.94 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 62 E 8.03 5.82 0.00 1.93 1.79 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 2.18 2.25 0.00 63 V 7.84 4.59 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 0.88 0.00 0.00 0.48 0.00 0.00 64 T 8.48 4.81 4.30 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 1.27 0.00 0.00 65 A 9.33 5.05 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 66 Y 9.68 4.33 0.00 3.03 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 67 I 6.91 4.33 1.53 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.58 0.58 0.00 0.00 68 P 0.00 4.51 0.00 2.07 2.15 0.00 3.65 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 2.56 0.00 69 G 9.14 3.74 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 0.00 0.00 0.00 70 E 8.47 4.22 0.00 1.84 1.84 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 2.18 2.32 0.00 71 G 8.55 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 72 H 7.53 4.32 0.00 3.33 3.37 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.82 4.31 0.00 2.86 2.86 0.00 0.00 6.18 7.79 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 74 L 7.14 3.46 0.00 1.79 1.87 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.79 4.70 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 76 E 8.36 4.17 0.00 1.91 1.87 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 2.04 2.49 0.00 77 H 8.55 4.20 0.00 3.25 3.62 0.00 5.89 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.69 4.68 0.00 4.29 3.75 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 79 V 8.24 4.26 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 0.75 0.00 0.00 0.98 0.00 0.00 80 V 8.93 4.89 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 0.66 0.00 0.00 1.02 0.00 0.00 81 L 8.25 5.02 0.00 1.30 1.28 1.07 0.77 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 82 I 8.64 4.89 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.93 0.99 0.00 0.00 83 R 9.46 4.41 0.00 1.97 2.25 0.00 3.40 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 84 G 8.44 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 0.00 0.00 0.00 85 G 8.44 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 0.00 0.00 0.00 86 R 7.62 4.59 0.00 1.84 1.93 0.00 2.64 0.00 0.00 3.74 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 87 V 8.05 4.03 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 0.70 0.00 0.00 0.53 0.00 0.00 88 K 8.16 3.59 0.00 1.69 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.54 7.81 89 D 8.08 4.47 0.00 2.69 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 90 L 7.28 4.68 0.00 1.57 1.61 1.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.45 0.00 2.03 2.04 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 92 G 9.05 3.49 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 0.00 93 V 7.32 3.60 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 1.15 0.00 0.00 1.00 0.00 0.00 94 R 8.67 4.65 0.00 1.04 1.35 0.00 3.03 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.80 0.00 95 Y 7.74 5.22 0.00 2.94 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 96 H 9.12 5.46 0.00 3.20 3.25 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 97 I 9.06 4.50 1.92 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 1.14 0.63 0.95 0.00 0.00 98 V 8.83 3.82 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 0.51 0.00 0.00 0.89 0.00 0.00 99 R 8.42 4.10 0.00 1.86 2.05 0.00 3.83 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 100 G 8.46 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 0.00 101 V 7.64 4.06 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 -0.24 0.00 0.00 0.72 0.00 0.00 102 Y 8.54 3.73 0.00 3.24 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 0.00 103 D 7.82 4.32 0.00 2.86 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 0.00 104 A 7.91 4.11 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 0.00 105 A 8.26 4.41 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 0.00 106 G 8.09 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 0.00 107 V 7.58 3.88 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 0.74 0.00 0.00 0.99 0.00 0.00 108 K 8.53 4.44 0.00 1.86 1.62 0.00 1.91 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 109 D 8.58 4.22 0.00 2.76 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.29 4.29 0.00 1.71 1.80 0.00 3.15 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 111 K 8.19 4.62 0.00 1.70 1.75 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.42 7.81 112 K 7.97 3.99 0.00 1.79 1.60 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.45 7.81 113 S 9.16 4.51 0.00 4.10 4.02 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 0.00 0.00 0.00 114 R 9.05 3.69 0.00 1.86 1.93 0.00 3.17 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 115 S 8.50 4.17 0.00 3.86 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 0.00 116 K 7.83 4.24 0.00 1.68 1.44 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 117 Y 8.27 3.53 0.00 3.31 3.15 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 0.00 118 G 7.69 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 0.00 119 T 7.98 4.82 4.27 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 1.22 0.00 0.00 120 K 8.12 4.60 0.00 1.71 1.69 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.32 7.81 121 K 8.47 4.05 0.00 1.70 1.74 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.49 7.81 122 P 0.00 4.41 0.00 2.21 2.04 0.00 3.82 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 1.99 1.95 0.00 123 K 8.19 4.20 0.00 1.72 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.52 7.81 124 E 8.78 4.29 0.00 2.00 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 2.31 2.25 0.00 125 A 6.93 3.65 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 *126 A 7.82 4.12 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.