NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 K 4.0639 8.3149 121.7840 56.0711 33.5848 175.7335 *2 I 3.9764 7.2066 119.9133 61.4426 38.6907 175.8761 3 T 4.7882 8.5816 121.5833 62.6613 68.5434 173.0887 4 P 4.7073 0.0000 0.0000 61.7918 32.4885 176.2498 5 R 4.3145 8.5189 121.2551 56.9935 31.0327 175.2326 6 F 5.7671 8.2603 119.3509 55.7967 41.3464 173.3267 7 S 4.8021 9.5567 113.7688 56.8338 66.7985 172.8260 8 I 5.1939 8.4034 121.0720 60.2105 40.5292 174.4617 9 T 5.0007 8.7681 121.9931 60.7885 70.8612 172.0273 10 Q 5.3502 8.5581 117.6307 55.6517 31.1463 174.0442 11 D 5.3948 8.5917 121.5152 52.1598 41.8478 175.4168 12 E 4.1981 8.8052 114.4313 58.3055 30.5908 177.1848 13 E 4.2085 8.2731 120.0509 56.5916 31.9725 175.1616 14 F 5.2480 9.0829 116.7432 55.5196 43.8802 174.0728 15 I 4.3992 8.1982 121.3479 59.9771 39.4698 175.2146 16 F 4.7490 8.9957 124.0152 55.8099 42.0816 173.6453 17 L 5.0745 9.2173 127.4675 53.0800 44.2766 174.8052 18 K 4.6887 9.2584 128.6329 54.7540 34.4287 174.5720 19 I 4.6301 8.4052 129.1302 59.4929 39.5177 174.6959 20 F 4.9120 8.8359 126.8074 56.4152 40.1236 175.2413 21 I 4.6167 8.3786 115.9239 59.3456 41.5225 174.0916 22 S 4.6917 8.7145 117.0134 56.9445 62.9473 174.6736 23 N 4.5860 8.9716 125.0960 55.7435 37.2875 177.0636 24 I 3.7965 7.9387 118.7584 63.5440 37.2598 176.6255 25 R 4.4575 8.0634 117.6247 55.8582 31.0529 176.4139 26 F 4.0070 7.6149 121.6898 58.0209 39.7373 174.4352 27 S 4.0795 7.0837 121.2193 56.7696 64.8820 174.2770 28 A 3.9329 8.2378 130.4132 53.9851 18.7689 178.4443 29 V 3.7150 7.6292 115.3088 65.4340 31.7848 177.0911 30 G 3.6574 7.7705 105.7509 46.0324 0.0000 172.9290 31 L 4.2925 7.0856 122.1463 54.4060 42.8659 175.6513 32 E 4.6894 9.0468 127.0136 54.4596 33.0439 173.9784 33 I 5.0868 8.5307 126.7971 59.5628 40.3627 174.7370 34 I 4.4221 8.8730 127.9625 59.6299 39.9410 174.7650 35 I 4.6216 8.5057 129.1114 59.6752 38.1815 175.8538 36 Q 4.3911 8.3525 125.8723 54.4977 30.3187 176.5813 37 E 3.7259 9.3362 127.4911 57.0026 28.6369 175.9846 38 N 5.1015 8.8537 122.8150 52.2698 37.2626 176.2608 *40 I 4.3685 7.3055 119.7583 62.0276 39.7771 176.2816 41 I 4.6225 8.7745 129.0155 59.7357 39.0170 174.3654 42 F 5.1529 8.9976 130.9354 56.6814 41.4486 173.9459 43 H 4.9581 8.6651 125.5476 54.3153 33.4647 172.1123 44 L 4.2310 8.3127 126.6208 54.1347 44.5650 173.7292 45 S 4.1523 8.2982 120.6649 58.5560 62.4238 172.5299 46 P 4.8310 0.0000 0.0000 62.7125 31.9438 174.1180 47 Y 5.1466 8.4710 117.1564 58.0716 39.9541 174.3024 48 Y 5.2966 8.9873 123.0031 56.2920 42.8061 174.8306 49 L 4.3547 7.6464 124.9680 53.7323 46.1615 174.5334 50 R 4.8659 8.5518 125.1826 54.5248 31.5428 175.0685 51 L 4.8994 8.5968 126.2635 52.8346 44.8076 175.9753 52 R 4.7277 8.6791 124.6177 54.7262 31.1358 175.7391 53 F 4.5457 9.5699 126.3805 55.8766 40.0940 174.6932 54 P 4.2337 0.0000 0.0000 65.3531 31.3610 175.3793 55 H 4.7985 7.0669 113.6544 53.8885 32.9651 171.7683 56 E 4.7048 8.4571 118.7913 56.1138 30.9714 176.2494 57 L 5.0814 9.7339 122.6736 53.2345 44.8155 175.7356 58 I 4.5504 8.3004 120.0242 59.5417 40.9502 173.9416 59 D 4.5898 8.8261 129.5980 53.7464 42.2018 174.7658 60 D 4.5814 8.0593 125.6940 52.8662 41.2306 175.0910 61 E 4.1717 8.7797 115.9469 58.9147 29.7734 177.8161 62 R 4.1828 8.6799 118.8861 58.3457 30.6599 177.2819 63 S 5.0460 7.9184 113.5111 58.8380 63.2921 174.4012 64 T 4.7746 8.3308 112.4728 60.0827 72.7225 173.0879 65 A 4.9223 8.4788 124.3218 51.2306 21.2853 175.3512 66 Q 4.6872 8.9020 120.5004 54.9243 32.6340 174.4638 67 Y 4.7127 8.2705 123.3439 55.9965 40.8291 174.0864 68 D 4.5007 8.2720 128.6974 53.2576 41.2496 177.1181 69 S 3.9666 8.3071 121.5854 60.3358 63.1308 175.4976 70 K 4.0646 7.5545 121.4249 59.2649 32.1735 177.3355 71 D 4.5156 7.9607 117.2569 54.1669 41.6821 176.5585 72 E 3.6902 8.0949 118.0922 55.5585 27.4659 173.1926 73 C 5.0135 6.5981 112.3692 56.9795 34.1451 174.4710 74 I 4.7101 8.8613 121.6126 60.0955 39.0283 174.4909 75 N 5.1141 9.0945 125.7296 51.8888 40.2628 174.0874 76 V 4.6900 9.1015 125.5884 60.8475 34.0539 174.1988 77 K 4.7625 8.8500 129.3129 54.4991 34.7755 174.8168 78 V 4.7903 8.1018 126.0235 60.8480 35.2138 174.4506 79 A 4.6137 8.5765 128.4104 51.6458 19.8016 176.8055 80 K 4.2145 8.1729 120.5103 56.0426 32.5115 177.0016 81 L 4.0508 8.8118 127.6214 57.9416 42.5394 177.0960 82 N 4.7883 8.0577 118.9849 50.7693 39.3964 174.0083 83 K 3.8417 8.4114 124.5764 58.1384 32.5945 176.2401 84 N 4.3864 9.1947 121.4318 53.6846 36.6115 173.5544 85 E 4.3726 7.7886 120.0536 55.1964 30.4351 175.0409 86 Y 4.4526 8.6695 127.5669 56.8887 39.6206 174.2264 87 F 4.5036 7.9107 125.6696 55.6336 39.6311 175.7903 88 E 4.0878 8.4246 125.8573 57.4776 29.9787 176.4048 89 D 4.9196 8.7577 119.4916 55.5650 38.0633 176.5689 90 L 4.0973 8.1943 121.3803 57.6506 41.9931 178.5058 91 D 4.4711 8.2734 117.6124 55.3446 39.9377 176.0390 92 L 4.8125 7.2846 121.6457 52.2539 41.0541 174.9322 93 P 4.2115 0.0000 0.0000 65.9258 31.7057 178.0563 94 T 4.2106 7.7426 106.9725 63.7286 68.8024 176.6502 95 K 4.0772 8.1066 121.2285 58.9251 32.2435 178.1282 96 L 4.2176 7.7746 117.4499 55.3244 41.5668 176.9192 97 L 4.2523 7.6893 124.3785 54.8948 41.7208 176.4213 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 0 K 8.31 4.06 0.00 1.68 1.82 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.50 7.81 *2 I 7.21 3.98 1.90 0.00 0.00 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 1.43 0.73 1.08 0.00 0.00 3 T 8.58 4.79 4.39 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 1.42 0.00 0.00 4 P 0.00 4.71 0.00 2.07 1.78 0.00 3.84 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 5 R 8.52 4.31 0.00 1.92 1.88 0.00 2.90 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 1.68 1.57 0.00 6 F 8.26 5.77 0.00 3.09 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 7 S 9.56 4.80 0.00 3.87 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 8 I 8.40 5.19 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 1.16 0.00 0.00 9 T 8.77 5.00 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 10 Q 8.56 5.35 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.46 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 11 D 8.59 5.39 0.00 2.90 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 12 E 8.81 4.20 0.00 2.16 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 0.00 2.31 2.23 0.00 13 E 8.27 4.21 0.00 1.76 1.12 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 1.47 1.85 0.00 14 F 9.08 5.25 0.00 2.22 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 0.00 0.00 0.00 0.00 15 I 8.20 4.40 1.41 0.00 0.00 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 0.54 0.95 0.66 0.00 0.00 16 F 9.00 4.75 0.00 2.93 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 17 L 9.22 5.07 0.00 1.79 1.68 1.01 0.33 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 18 K 9.26 4.69 0.00 1.71 1.54 0.00 1.56 0.00 0.00 1.31 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.42 1.00 7.81 19 I 8.41 4.63 1.45 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.37 0.42 0.00 0.00 20 F 8.84 4.91 0.00 2.93 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 21 I 8.38 4.62 1.92 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.56 0.00 0.00 22 S 8.71 4.69 0.00 4.02 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 23 N 8.97 4.59 0.00 3.06 3.30 0.00 0.00 6.27 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 24 I 7.94 3.80 1.94 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 1.46 0.60 0.94 0.00 0.00 25 R 8.06 4.46 0.00 2.07 2.09 0.00 3.32 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 26 F 7.61 4.01 0.00 2.48 2.60 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 27 S 7.08 4.08 0.00 3.67 3.40 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 28 A 8.24 3.93 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 29 V 7.63 3.72 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 0.77 0.00 0.00 0.89 0.00 0.00 30 G 7.77 3.66 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 0.00 0.00 0.00 31 L 7.09 4.29 0.00 1.56 1.45 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.05 4.69 0.00 2.00 1.67 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 2.18 2.25 0.00 33 I 8.53 5.09 1.91 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 1.56 0.89 0.95 0.00 0.00 34 I 8.87 4.42 1.89 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 1.24 0.87 0.93 0.00 0.00 35 I 8.51 4.62 1.86 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 1.35 0.54 0.89 0.00 0.00 36 Q 8.35 4.39 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.24 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 37 E 9.34 3.73 0.00 2.24 1.85 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 2.46 2.29 0.00 38 N 8.85 5.10 0.00 3.10 3.01 0.00 0.00 5.91 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 *40 I 7.31 4.37 2.06 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.94 0.00 0.00 41 I 8.77 4.62 1.88 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 1.27 1.10 0.89 0.00 0.00 42 F 9.00 5.15 0.00 2.95 2.73 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 0.00 0.00 0.00 0.00 43 H 8.67 4.96 0.00 3.19 2.98 0.00 5.87 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 44 L 8.31 4.23 0.00 1.45 1.40 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.30 4.15 0.00 3.79 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 46 P 0.00 4.83 0.00 2.01 1.95 0.00 2.74 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.69 0.00 47 Y 8.47 5.15 0.00 3.22 3.14 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 48 Y 8.99 5.30 0.00 2.98 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 49 L 7.65 4.35 0.00 1.68 1.32 0.16 0.51 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 50 R 8.55 4.87 0.00 1.98 1.91 0.00 3.27 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 51 L 8.60 4.90 0.00 1.60 1.22 0.71 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.68 4.73 0.00 1.80 1.80 0.00 3.27 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 53 F 9.57 4.55 0.00 3.34 3.32 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 54 P 0.00 4.23 0.00 1.85 2.05 0.00 4.07 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.96 0.00 55 H 7.07 4.80 0.00 1.79 2.89 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.46 4.70 0.00 1.96 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 2.40 2.35 0.00 57 L 9.73 5.08 0.00 1.55 1.44 0.24 0.38 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 58 I 8.30 4.55 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 1.10 0.69 0.93 0.00 0.00 59 D 8.83 4.59 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.58 0.00 2.90 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 61 E 8.78 4.17 0.00 2.10 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 2.29 2.29 0.00 62 R 8.68 4.18 0.00 2.05 2.27 0.00 3.47 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 63 S 7.92 5.05 0.00 4.02 3.80 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 64 T 8.33 4.77 4.19 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 1.19 0.00 0.00 65 A 8.48 4.92 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 Q 8.90 4.69 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 67 Y 8.27 4.71 0.00 2.15 2.18 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 0.00 68 D 8.27 4.50 0.00 2.50 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 0.00 0.00 0.00 0.00 69 S 8.31 3.97 0.00 4.03 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 70 K 7.55 4.06 0.00 1.80 1.78 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.49 7.81 71 D 7.96 4.52 0.00 2.58 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 72 E 8.09 3.69 0.00 2.24 2.25 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 2.44 2.25 0.00 73 C 6.60 5.01 0.00 2.47 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 74 I 8.86 4.71 1.81 0.00 0.00 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 1.61 0.91 1.08 0.00 0.00 75 N 9.09 5.11 0.00 2.58 2.72 0.00 0.00 6.06 7.30 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 76 V 9.10 4.69 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 0.76 0.00 0.00 0.90 0.00 0.00 77 K 8.85 4.76 0.00 1.63 1.38 0.00 1.33 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.54 0.22 7.81 78 V 8.10 4.79 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 0.93 0.00 0.00 0.81 0.00 0.00 79 A 8.58 4.61 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 80 K 8.17 4.21 0.00 1.58 1.83 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.88 1.01 7.81 81 L 8.81 4.05 0.00 1.69 1.75 0.92 0.90 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 82 N 8.06 4.79 0.00 3.01 2.73 0.00 0.00 6.67 7.10 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 83 K 8.41 3.84 0.00 1.63 1.69 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.36 7.81 84 N 9.19 4.39 0.00 2.87 2.98 0.00 0.00 6.90 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 85 E 7.79 4.37 0.00 1.93 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 2.25 2.17 0.00 86 Y 8.67 4.45 0.00 3.04 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 87 F 7.91 4.50 0.00 3.03 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 88 E 8.42 4.09 0.00 1.98 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 2.48 2.80 0.00 89 D 8.76 4.92 0.00 2.90 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 90 L 8.19 4.10 0.00 1.69 1.96 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.27 4.47 0.00 2.84 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 92 L 7.28 4.81 0.00 1.76 1.62 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.21 0.00 1.64 1.60 0.00 3.48 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 1.89 2.04 0.00 94 T 7.74 4.21 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 1.17 0.00 0.00 95 K 8.11 4.08 0.00 1.73 1.91 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.63 7.81 96 L 7.77 4.22 0.00 1.81 1.42 0.92 0.12 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 97 L 7.69 4.25 0.00 1.87 1.64 1.17 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.