NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2893 8.0932 114.7982 57.7939 64.5161 174.2918 2 L 4.1275 8.3420 120.4095 57.3058 40.9771 178.6590 3 L 4.0181 8.4306 119.5078 57.8715 42.0324 179.0399 4 E 4.0516 8.0255 117.9386 59.3711 29.4789 178.9073 5 F 4.7075 8.4764 120.9070 61.4692 39.4400 177.3946 6 G 3.5311 8.4610 105.4257 47.6898 0.0000 175.5926 7 K 4.0200 7.9620 122.2630 59.2811 32.2250 178.5494 8 M 4.0770 8.3850 118.6733 58.7770 32.1754 178.3028 9 I 3.6495 7.7292 119.9146 64.1813 37.1660 178.2469 10 L 4.3444 7.8186 122.4977 57.7516 41.7424 178.7901 11 E 3.9974 8.0892 117.3638 59.3827 29.4671 178.7929 12 E 4.1121 8.1720 118.4905 58.9329 29.9405 177.9969 13 T 4.4425 8.3977 107.2658 60.9890 70.3578 175.6461 14 G 3.8290 8.3283 110.6692 45.5783 0.0000 173.2897 *16 K 4.4411 7.4667 117.6351 56.0417 33.3236 174.8315 17 L 4.2669 8.2266 121.8818 54.1984 42.5254 177.3826 18 A 4.0862 8.7247 127.4963 54.9791 18.4005 176.7644 19 I 4.7429 7.5308 114.6402 59.0187 38.8055 174.3355 20 P 4.5262 0.0000 0.0000 64.5094 32.0477 178.2930 21 S 3.9233 7.5621 114.8584 60.5845 62.6902 174.7007 22 Y 4.8291 8.7072 115.2385 57.5134 39.1509 176.1576 23 S 4.7904 7.9424 115.9440 59.0241 64.2292 175.0756 24 S 4.7735 7.8069 116.2509 58.0166 63.4245 172.2904 25 Y 4.7960 8.0855 121.5147 58.3371 40.3186 175.1747 26 G 3.4590 8.0624 116.3510 47.2090 0.0000 173.6712 27 C 4.7046 9.7121 116.3722 57.4448 41.3152 174.6319 28 Y 4.2887 8.6845 114.9810 57.7729 39.9907 175.1843 29 C 4.8239 8.2505 118.3388 60.2741 41.0398 172.5213 30 G 4.6724 9.7044 115.0232 44.8590 0.0000 174.4064 31 W 4.8046 9.8421 135.0000 59.5946 32.4316 172.5858 32 G 3.9928 8.9459 105.6105 43.1481 0.0000 175.3515 33 G 3.6540 7.8945 110.9419 43.8134 0.0000 172.1303 34 K 4.4111 7.4758 121.7809 56.3960 36.0406 176.3882 35 G 3.8816 8.7324 108.9458 45.2039 0.0000 172.4007 36 T 4.3622 7.6084 115.3849 61.2385 69.5065 173.5948 37 P 4.5952 0.0000 0.0000 62.7806 31.9585 176.7795 38 K 3.8371 8.7874 122.4425 59.1475 32.3064 176.1321 39 D 4.4745 7.2457 115.3497 51.3202 41.9044 174.8806 40 A 3.9789 8.8319 119.6106 56.2164 18.0881 179.9891 41 T 4.0084 7.9357 113.6546 66.8878 68.5775 176.3046 42 D 4.5633 8.8898 120.2313 57.3276 41.1840 178.5117 43 R 4.0154 8.2441 118.9474 59.0927 30.0134 178.2436 44 C 4.2217 8.1858 116.6557 60.2728 39.2333 175.5384 45 C 4.3682 8.1477 118.2542 59.7409 40.5212 175.8734 46 F 3.8400 8.3058 122.3470 61.3519 38.9584 177.3993 47 V 3.2790 7.9697 117.8619 66.0177 31.2404 177.4328 48 H 3.8310 8.0556 118.0167 59.2020 29.6331 176.9869 49 D 4.1889 8.1959 120.9991 57.5623 40.4155 178.1983 50 C 4.0728 7.6830 116.0688 59.8839 34.5423 174.9711 51 C 4.2522 8.2528 120.5033 59.9937 44.3365 175.3373 52 Y 4.2967 8.0031 118.4124 60.9955 37.1694 178.7072 53 G 3.6714 8.0394 105.9171 47.3635 0.0000 174.4830 54 N 4.7261 7.6292 115.7155 53.1519 40.1251 175.3072 55 L 4.8003 7.5037 119.7707 52.3097 41.9844 174.3839 56 P 4.1904 0.0000 0.0000 65.7206 32.3410 178.5479 *59 D 4.8618 7.8509 114.8976 54.3310 42.5566 175.4433 *61 C 5.2012 7.6247 115.9322 57.3121 41.6950 172.7783 *67 N 5.1391 7.9566 116.6426 52.3165 38.7380 173.1777 68 P 3.9712 0.0000 0.0000 65.4187 32.1235 179.1712 69 K 4.1395 8.0180 117.0694 58.4061 32.2117 178.4828 70 S 4.5564 7.8214 110.7593 58.1812 64.8347 173.5395 71 D 4.4881 8.1811 121.8973 53.6541 41.1745 175.7041 72 R 4.7066 8.6534 125.5224 54.8916 31.1685 174.9866 73 Y 5.0053 7.6773 118.1193 55.1746 41.5381 174.1633 74 K 4.9889 8.6207 118.2955 54.9692 35.3313 175.1274 75 Y 5.5000 8.2728 120.3469 55.7025 41.2090 173.5477 76 K 4.6769 9.4578 119.7842 55.3319 37.0183 174.6993 77 R 5.0200 8.5565 118.9262 54.6969 32.0216 176.8642 78 V 4.0431 8.9293 125.5595 61.7981 31.3871 174.5312 79 N 4.3363 9.4778 126.8868 53.8885 35.7948 173.6732 80 G 4.2112 8.2883 106.5130 45.5311 0.0000 173.6634 81 A 4.1232 7.5871 122.8167 51.8368 18.9161 176.2395 82 I 4.5748 8.2537 123.9922 60.9085 38.2847 175.6065 83 V 4.3694 9.0656 127.2584 61.0460 34.1968 173.8374 84 C 4.8844 8.8750 126.3884 56.9964 40.5419 173.6699 85 E 4.5181 9.0633 124.2103 55.0737 30.8979 176.6671 86 K 4.0367 8.5512 123.4958 56.6979 33.4129 175.8548 *88 G 4.4033 8.2964 114.6571 45.4336 0.0000 172.3036 89 T 4.2169 8.4667 113.4271 61.1341 71.2339 175.5645 90 S 4.0825 8.4594 114.7898 61.6665 62.2644 176.6380 91 C 4.2871 8.0988 118.7681 60.0672 41.0944 175.7160 92 E 3.9663 8.0271 119.8606 59.4004 29.1086 179.2159 93 N 4.2583 8.1634 116.4692 56.5238 38.7911 177.7915 94 R 3.9094 7.8304 119.0814 59.0277 30.1077 179.2731 95 I 3.6609 8.0104 120.1509 64.4380 37.1134 177.4409 96 C 3.0602 7.6574 119.2067 59.5097 39.3440 175.5697 97 E 3.8095 7.8587 119.7121 59.4408 29.0836 178.7892 98 C 4.1869 7.9317 116.2045 60.0561 41.0399 175.9131 99 D 3.9040 8.0025 120.4858 56.8994 40.3900 178.5890 100 K 3.7586 8.3192 120.3917 59.4275 32.1201 178.4942 101 A 3.8510 7.7939 120.6053 55.1772 18.2339 179.4821 102 A 3.4477 7.7017 118.5187 55.0583 18.3998 179.6037 103 A 3.9530 8.1135 119.4101 55.4652 18.3948 180.0208 104 I 3.6633 7.6354 118.2181 64.5310 37.1485 177.7755 105 C 4.2180 8.1749 119.4809 59.6172 43.1667 175.6630 106 F 4.4667 7.9133 118.7671 60.6372 38.7776 177.2236 107 R 4.0840 8.0765 118.3140 59.6436 29.7063 178.3789 108 Q 4.1396 8.4750 118.1915 58.1662 29.2963 176.4160 109 N 5.0647 7.6972 115.8531 52.8606 39.5201 176.3424 110 L 4.1521 8.0103 121.8321 58.1141 41.8061 179.5518 111 N 4.4448 8.3157 114.7840 55.7154 38.5567 175.5956 112 T 4.4942 7.5989 105.5499 61.0120 69.3647 173.9962 113 Y 4.0481 7.9644 125.2122 58.1979 39.3543 174.7717 114 S 4.8095 8.9026 121.5440 56.1340 64.9019 174.8717 115 K 4.1988 8.7885 127.1514 58.7190 32.0259 178.6199 116 K 4.0344 7.3806 116.7325 58.4737 32.6800 177.0890 117 Y 4.4341 7.3210 117.1203 57.9575 38.3841 175.4309 118 M 4.3813 7.4968 120.7177 56.2266 32.5344 175.8829 119 L 3.6578 8.4968 121.0157 55.5207 40.0935 174.5133 120 Y 4.1251 8.1309 118.8290 56.8266 39.3475 173.8535 121 P 4.3284 0.0000 0.0000 62.3932 32.4777 176.6922 122 D 4.2089 8.7369 120.8864 57.2994 41.2451 177.9500 *124 F 4.8488 7.8274 111.2124 56.3735 39.5275 175.1709 125 L 3.8988 6.8901 120.0223 55.0223 41.6029 176.9727 126 C 4.7296 7.7313 118.5575 55.0986 34.8759 172.3773 127 K 4.6121 8.1970 122.2488 54.9108 34.3419 175.2410 128 G 3.9759 8.1004 107.0770 43.8630 0.0000 172.5887 129 E 4.6608 8.2025 117.9864 54.4933 32.5144 176.3324 130 L 4.0960 8.2068 123.7074 54.4214 42.8294 174.1373 131 K 4.2851 8.3736 127.9431 55.7984 33.3972 177.4227 *133 C 4.8102 8.5037 120.0097 57.4582 41.5285 173.8080 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 S 8.09 5.29 0.00 4.23 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 0.00 2 L 8.34 4.13 0.00 1.86 1.90 1.14 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.43 4.02 0.00 1.69 1.72 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.03 4.05 0.00 1.82 1.93 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 1.80 2.31 0.00 5 F 8.48 4.71 0.00 3.33 3.18 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 6 G 8.46 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 4.02 0.00 1.86 2.13 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.53 7.81 8 M 8.38 4.08 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 9 I 7.73 3.65 1.81 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 1.13 0.02 0.70 0.00 0.00 10 L 7.82 4.34 0.00 1.77 1.82 0.91 0.90 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 11 E 8.09 4.00 0.00 2.19 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 2.41 2.68 0.00 12 E 8.17 4.11 0.00 2.16 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 2.46 2.38 0.00 13 T 8.40 4.44 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 1.25 0.00 0.00 14 G 8.33 3.83 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 0.00 0.00 0.00 *16 K 7.47 4.44 0.00 1.85 1.58 0.00 1.45 0.00 0.00 0.88 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.25 7.81 17 L 8.23 4.27 0.00 1.71 1.71 0.91 0.83 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 18 A 8.72 4.09 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 19 I 7.53 4.74 1.90 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 1.54 0.73 0.95 0.00 0.00 20 P 0.00 4.53 0.00 2.23 2.30 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 21 S 7.56 3.92 0.00 3.76 3.31 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 22 Y 8.71 4.83 0.00 2.85 2.70 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 0.00 0.00 0.00 23 S 7.94 4.79 0.00 4.08 4.20 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 24 S 7.81 4.77 0.00 3.97 4.06 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 25 Y 8.09 4.80 0.00 3.10 2.89 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 0.00 0.00 0.00 26 G 8.06 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.71 4.70 0.00 3.13 3.09 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 28 Y 8.68 4.29 0.00 3.22 3.18 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 29 C 8.25 4.82 0.00 3.42 3.58 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 30 G 9.70 4.67 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 0.00 0.00 0.00 31 W 9.84 4.80 0.00 3.20 3.38 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 32 G 8.95 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 0.00 0.00 0.00 33 G 7.89 3.65 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 0.00 0.00 0.00 34 K 7.48 4.41 0.00 1.74 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.41 7.81 35 G 8.73 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 0.00 0.00 0.00 36 T 7.61 4.36 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 1.12 0.00 0.00 37 P 0.00 4.60 0.00 1.88 1.93 0.00 3.41 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 38 K 8.79 3.84 0.00 0.79 0.74 0.00 1.05 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.93 0.21 7.81 39 D 7.25 4.47 0.00 2.78 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 40 A 8.83 3.98 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 41 T 7.94 4.01 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 1.06 0.00 0.00 42 D 8.89 4.56 0.00 2.97 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 43 R 8.24 4.02 0.00 2.09 1.96 0.00 3.13 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 44 C 8.19 4.22 0.00 3.24 2.70 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 0.00 0.00 0.00 45 C 8.15 4.37 0.00 3.36 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 3.84 0.00 2.50 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 47 V 7.97 3.28 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 0.83 0.00 0.00 1.02 0.00 0.00 48 H 8.06 3.83 0.00 3.15 3.31 0.00 5.64 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 49 D 8.20 4.19 0.00 2.84 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 50 C 7.68 4.07 0.00 2.77 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 51 C 8.25 4.25 0.00 2.92 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 52 Y 8.00 4.30 0.00 3.10 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 53 G 8.04 3.67 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 0.00 0.00 0.00 54 N 7.63 4.73 0.00 2.82 2.83 0.00 0.00 6.78 7.76 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 55 L 7.50 4.80 0.00 1.50 1.51 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.19 0.00 2.16 2.08 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 *59 D 7.85 4.86 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.62 5.20 0.00 3.06 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 *67 N 7.96 5.14 0.00 2.73 2.77 0.00 0.00 7.59 8.03 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 68 P 0.00 3.97 0.00 1.02 0.49 0.00 3.29 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 1.35 1.66 0.00 69 K 8.02 4.14 0.00 1.82 1.90 0.00 1.66 0.00 0.00 1.95 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.43 7.81 70 S 7.82 4.56 0.00 3.94 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 71 D 8.18 4.49 0.00 2.70 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 72 R 8.65 4.71 0.00 1.82 1.76 0.00 3.22 0.00 0.00 4.01 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 73 Y 7.68 5.01 0.00 3.03 2.96 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 0.00 0.00 0.00 74 K 8.62 4.99 0.00 1.75 1.92 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.37 7.81 75 Y 8.27 5.50 0.00 3.09 3.10 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 76 K 9.46 4.68 0.00 1.78 1.90 0.00 1.28 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.43 7.81 77 R 8.56 5.02 0.00 1.73 1.93 0.00 3.41 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 78 V 8.93 4.04 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 1.01 0.00 0.00 0.96 0.00 0.00 79 N 9.48 4.34 0.00 2.89 2.86 0.00 0.00 7.36 7.65 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 80 G 8.29 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 81 A 7.59 4.12 1.34 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 0.00 0.00 82 I 8.25 4.57 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.82 0.00 0.00 83 V 9.07 4.37 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 1.10 0.00 0.00 0.97 0.00 0.00 84 C 8.88 4.88 0.00 2.87 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 85 E 9.06 4.52 0.00 2.06 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 2.36 2.31 0.00 86 K 8.55 4.04 0.00 1.79 1.70 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.44 7.81 *88 G 8.30 4.40 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 0.00 89 T 8.47 4.22 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 1.26 0.00 0.00 90 S 8.46 4.08 0.00 3.89 3.89 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 0.00 0.00 0.00 91 C 8.10 4.29 0.00 2.99 3.09 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 92 E 8.03 3.97 0.00 2.26 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 2.57 2.55 0.00 93 N 8.16 4.26 0.00 2.86 2.82 0.00 0.00 7.03 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 94 R 7.83 3.91 0.00 1.84 1.92 0.00 3.09 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 95 I 8.01 3.66 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.06 1.02 0.00 0.00 96 C 7.66 3.06 0.00 1.93 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 97 E 7.86 3.81 0.00 2.10 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 2.41 2.42 0.00 98 C 7.93 4.19 0.00 3.19 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 99 D 8.00 3.90 0.00 2.77 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 0.00 100 K 8.32 3.76 0.00 1.71 1.88 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.39 7.81 101 A 7.79 3.85 1.30 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 0.00 0.00 102 A 7.70 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.11 3.95 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 0.00 104 I 7.64 3.66 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.88 0.00 0.00 105 C 8.17 4.22 0.00 2.94 2.93 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 0.00 106 F 7.91 4.47 0.00 3.06 2.77 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 0.00 107 R 8.08 4.08 0.00 1.97 2.14 0.00 3.18 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 108 Q 8.47 4.14 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 109 N 7.70 5.06 0.00 2.87 2.84 0.00 0.00 6.85 7.80 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 0.00 110 L 8.01 4.15 0.00 1.89 1.76 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.32 4.44 0.00 2.76 2.93 0.00 0.00 6.78 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 0.00 112 T 7.60 4.49 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 1.26 0.00 0.00 113 Y 7.96 4.05 0.00 3.06 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 0.00 114 S 8.90 4.81 0.00 3.90 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 0.00 115 K 8.79 4.20 0.00 1.89 1.87 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.65 7.81 116 K 7.38 4.03 0.00 1.62 1.71 0.00 1.22 0.00 0.00 1.43 0.00 0.00 2.19 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.81 0.21 7.81 117 Y 7.32 4.43 0.00 1.95 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 0.00 0.00 0.00 118 M 7.50 4.38 0.00 2.05 2.19 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 2.79 2.62 0.00 119 L 8.50 3.66 0.00 1.78 1.71 0.91 0.61 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 0.00 120 Y 8.13 4.13 0.00 3.04 3.03 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 0.00 121 P 0.00 4.33 0.00 2.47 2.16 0.00 2.79 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.77 0.00 122 D 8.74 4.21 0.00 2.54 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 *124 F 7.83 4.85 0.00 3.25 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 0.00 125 L 6.89 3.90 0.00 1.01 1.50 0.34 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.73 4.73 0.00 3.18 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 0.00 127 K 8.20 4.61 0.00 1.80 1.70 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.37 7.81 128 G 8.10 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 0.00 129 E 8.20 4.66 0.00 1.93 1.83 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 2.23 2.22 0.00 130 L 8.21 4.10 0.00 1.38 1.17 -0.13 0.48 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 0.00 131 K 8.37 4.29 0.00 1.88 1.69 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.54 7.81 *133 C 8.50 4.81 0.00 2.97 2.91 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 * Residues marked with a * may have inaccurate shift predictions.