NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.6873 8.3027 117.8243 55.8389 29.6566 172.4900 -1 H 4.6085 8.3554 128.0876 56.0058 32.1334 173.5923 2 K 3.4903 9.4568 115.7459 58.8596 33.6922 177.3424 3 E 4.1564 7.9352 116.4356 59.2762 29.5095 179.0688 4 I 3.9108 7.5036 119.5122 64.4286 37.0573 178.2174 5 A 4.1985 7.8530 121.0734 55.5109 17.9466 179.3673 6 T 3.9475 7.4262 109.2785 65.0744 67.6131 176.1862 7 E 4.0334 8.2993 120.4091 58.3459 29.6134 176.8605 8 Y 4.7195 7.8645 113.7973 56.9318 39.0695 175.5882 9 S 3.8157 8.2292 113.6162 59.6241 60.4157 172.6164 10 F 4.6638 8.5399 118.1644 57.2145 39.9180 176.5118 11 I 4.6892 8.7420 124.6909 58.9795 39.6574 175.1263 12 K 3.2494 8.7678 128.3585 57.3186 31.9777 174.9993 13 Y 4.5504 8.9316 129.3637 59.3870 39.7428 174.9085 14 T 4.4068 7.4937 110.9159 61.2978 71.1592 170.6984 15 E 5.2139 8.5801 123.7059 54.3248 32.6674 174.5000 16 L 4.9692 8.7856 125.6685 53.4415 43.8816 175.9426 17 E 4.7762 8.3576 119.2254 55.0364 32.9763 174.4594 18 L 4.6452 8.6099 123.3118 54.3864 42.8599 176.6515 19 D 4.8139 8.4972 122.3176 51.9825 41.7043 176.6111 20 D 4.3084 8.7385 118.0932 57.3047 40.7208 177.2498 21 N 4.6876 8.3689 113.3185 52.4621 37.6185 175.1001 22 G 3.8607 8.5033 106.5962 46.1948 0.0000 173.1754 23 S 4.6167 9.0386 114.5733 55.7214 63.8266 173.0119 24 I 4.2537 8.4370 128.4682 61.4351 36.9664 176.2671 25 K 4.1006 8.4987 127.3181 56.5952 32.7035 177.2486 26 Q 4.2400 8.6220 120.7061 56.1152 29.8349 175.8667 27 L 4.4072 8.3065 120.6652 53.1743 43.1843 176.7835 28 S 4.5197 8.4611 119.9448 56.7317 61.6239 172.8031 29 I 4.4722 7.5734 119.5076 58.3637 40.1937 173.4860 30 P 4.4605 0.0000 0.0000 62.4171 31.9799 175.3133 31 N 4.7039 8.2822 118.4095 53.1422 40.4298 174.2289 32 K 4.3504 7.6267 123.2474 55.1696 35.4760 174.2801 33 Y 4.9755 8.4962 124.4189 56.2908 41.1796 174.8096 34 N 4.2428 8.2347 118.5918 55.0106 37.6575 173.1517 35 V 5.0168 7.9098 112.5330 59.6251 37.2960 176.4761 36 I 4.7470 8.3990 123.8154 60.9164 38.3863 174.8145 37 Y 5.6345 9.0276 124.8290 55.2146 41.4876 174.3483 38 A 4.9453 9.3738 122.2363 50.2647 22.4206 174.9206 39 I 4.4275 8.4724 122.9095 59.4984 39.5044 174.6917 40 A 4.8612 8.9168 128.4196 49.9599 22.3154 174.7364 41 I 4.6718 8.3004 122.9938 59.5563 40.0312 175.9408 42 N 4.1333 9.5811 126.6350 54.6309 36.4711 175.0067 43 D 4.5105 8.2982 113.2191 54.4890 38.8259 173.9010 44 E 4.5974 7.5875 119.8199 53.7693 31.5064 175.2881 45 L 4.0115 8.1751 126.3648 55.4240 42.4358 176.7047 46 V 3.9852 8.0489 118.3571 61.4656 34.5445 174.8875 47 Y 5.0979 7.1973 119.9564 56.4099 42.2526 172.9902 48 I 4.3400 8.1128 127.5891 59.3245 39.2895 175.1256 49 G 3.7842 8.0034 113.8752 43.7253 0.0000 171.2775 50 K 5.3799 8.3376 117.8061 55.6152 35.8474 175.5003 51 T 4.6898 8.5413 114.4220 61.2919 70.8073 174.3145 52 K 4.2736 8.9017 125.9456 58.4033 33.8596 176.3513 53 N 4.7831 8.2763 118.9126 51.5527 40.1310 174.3099 54 L 3.7046 8.7653 129.4614 57.7448 42.1310 178.5034 55 R 3.9139 7.7194 118.2788 59.2750 30.0765 178.5394 56 K 3.9340 8.1316 118.1220 59.3499 32.1729 179.3171 57 R 3.6402 7.7225 118.8519 59.3586 29.8920 178.6358 58 I 3.6745 7.6879 119.6576 64.5639 37.0932 178.2535 59 N 4.3057 8.0992 117.2022 56.1694 38.2132 176.7754 60 Y 3.9355 8.0349 121.1280 60.8696 38.8400 177.7470 61 Y 4.3325 7.7601 116.9698 61.2362 37.9875 178.5492 62 R 3.9198 8.3370 119.6273 59.8935 30.1042 178.5812 63 T 3.7611 8.3107 115.3531 66.6382 68.4637 176.2508 64 A 3.8379 7.8079 122.6296 55.3931 18.2535 179.8773 65 I 3.6004 7.6981 117.9005 64.6647 37.0671 178.4715 66 N 4.3464 8.2093 116.2697 56.0385 38.4507 176.9069 67 R 4.1523 8.2240 117.1895 55.3683 30.8926 176.2600 68 K 3.6824 7.5890 117.4706 57.1457 30.2270 175.1043 69 D 4.5467 8.3689 118.4902 53.6127 41.4128 175.5726 70 K 4.4825 8.5327 124.8192 56.6673 32.5713 177.1873 71 T 4.2509 8.0882 116.6610 64.7451 68.7481 176.5190 72 S 4.3094 7.9426 116.3389 58.7769 63.0528 172.9248 73 D 4.3322 7.6479 121.5552 54.5646 38.9379 172.6457 74 S 4.8161 7.7561 113.4198 57.7317 64.1653 177.0505 75 T 3.7229 8.0502 119.6298 67.2212 68.0397 176.3069 76 K 3.3844 7.8420 119.5936 59.5083 32.1537 179.4063 77 S 4.2120 8.1911 114.6424 61.6483 62.8565 176.5555 78 A 4.0220 8.4196 123.8948 54.9421 18.0805 179.7573 79 L 3.7193 7.7563 117.9429 57.7908 41.4271 179.6938 80 I 3.9083 7.8239 120.1959 64.7276 37.0077 178.0173 81 H 4.2893 8.3130 119.3919 59.2577 29.6613 177.5178 82 S 4.1646 8.1359 115.7339 60.9707 62.7772 176.4070 83 A 3.9972 8.1197 124.5518 55.0375 18.1749 179.4205 84 L 3.9512 8.1281 117.6247 58.0392 41.5249 180.0074 85 K 3.9763 8.1435 117.2504 59.4530 32.1225 178.8326 86 E 4.2313 8.2866 115.3942 56.7563 29.1538 177.6560 87 G 3.8745 7.8897 107.1757 46.1094 0.0000 174.1868 88 S 4.5982 8.0469 115.5355 57.6054 64.2708 173.5036 89 K 4.3624 8.9005 123.1494 55.5236 33.6456 175.4289 90 V 4.7131 8.4390 126.8012 61.3164 34.1023 173.7443 91 E 5.2238 9.2903 127.7452 54.5507 33.4695 174.9685 92 F 5.4006 9.3172 121.6014 56.1270 41.7643 174.3722 93 Y 5.3168 9.5848 120.8992 56.2561 41.4680 174.5187 94 A 5.3685 9.3972 122.9423 50.2742 22.8979 175.0615 95 R 4.4838 9.2050 122.6349 54.0410 32.2707 174.8092 96 Q 4.3786 8.7808 128.8072 56.6693 29.6624 175.0182 97 C 5.1419 8.5295 123.7966 58.2714 31.7622 171.6875 98 F 5.0229 8.1243 112.9463 56.1356 40.9054 172.9344 99 N 5.5115 9.1096 114.0056 51.7940 42.3240 173.6563 100 L 4.9937 8.8149 121.5523 53.4298 45.2604 176.0430 101 S 4.5936 8.2988 117.9383 57.2309 67.1162 172.8222 *103 T 4.3717 8.3949 115.8959 64.1840 69.7322 173.2559 104 N 4.8921 8.4461 123.6870 51.8285 39.4523 174.5827 105 E 4.0657 8.8416 114.3093 59.1901 29.8552 177.6714 106 L 4.1636 7.9370 118.8622 54.9917 42.8809 175.9789 107 G 3.9016 7.3884 104.4722 44.5769 0.0000 171.6331 108 T 4.8304 8.1177 118.6797 61.7281 71.7952 172.6778 *110 T 4.4014 8.0513 115.2847 62.5431 68.4550 173.3111 111 I 4.6400 8.6661 126.6098 59.1357 41.7837 173.7055 112 A 4.9122 8.7885 131.2130 50.7189 19.3651 178.4131 113 T 3.7213 8.5732 114.5983 64.1558 68.7467 176.7654 114 I 3.6755 7.7282 116.1593 64.3750 37.1089 177.7110 115 D 4.4009 7.9596 119.4799 56.7025 41.1768 178.0636 116 L 4.2341 7.6253 118.9279 56.8581 41.9515 178.5981 117 E 3.9991 8.2847 118.3062 58.5975 29.7078 178.4748 118 A 4.1122 8.0235 120.9070 55.1108 18.4553 177.8696 119 P 4.1924 0.0000 0.0000 65.8221 31.3813 178.8314 120 L 3.9470 7.2238 117.0179 57.4871 41.4293 179.4820 121 F 4.0176 8.2878 118.1350 60.3965 38.7468 177.8264 122 I 3.6998 7.9589 119.5364 64.3494 36.7293 178.4909 123 K 3.9024 7.7898 119.1266 59.0403 31.9856 178.4741 124 L 3.8153 7.3836 120.1003 57.6275 42.1350 178.0981 125 F 4.6174 7.9968 114.6706 56.1695 41.0160 175.3501 126 N 4.2383 8.4269 115.9505 53.3760 36.7766 172.9031 127 P 4.3749 0.0000 0.0000 62.0603 32.6367 176.5635 128 P 4.3734 0.0000 0.0000 65.5631 31.3584 177.6238 129 W 4.6101 8.4724 115.6572 57.5174 29.3364 176.1057 130 N 4.8495 8.1023 116.8756 51.9939 37.4645 175.1122 131 I 3.9834 8.4149 125.5268 61.1592 37.3252 176.5677 132 Q 4.2359 8.6560 123.8061 56.0272 28.7488 175.8233 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 H 8.30 4.69 0.00 3.10 3.02 0.00 5.78 0.00 0.00 0.00 0.00 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.36 4.61 0.00 3.19 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.46 3.49 0.00 1.86 1.80 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.46 7.81 3 E 7.94 4.16 0.00 2.08 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 0.00 2.43 2.45 0.00 4 I 7.50 3.91 1.50 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 0.59 0.00 0.00 5 A 7.85 4.20 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.43 3.95 4.29 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 1.30 0.00 0.00 7 E 8.30 4.03 0.00 2.12 1.95 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 1.51 2.12 0.00 8 Y 7.86 4.72 0.00 3.61 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 9 S 8.23 3.82 0.00 4.01 3.94 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 10 F 8.54 4.66 0.00 2.93 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 11 I 8.74 4.69 1.98 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 1.21 0.93 0.98 0.00 0.00 12 K 8.77 3.25 0.00 1.05 1.52 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.06 7.81 13 Y 8.93 4.55 0.00 2.93 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.49 4.41 3.79 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 1.24 0.00 0.00 15 E 8.58 5.21 0.00 1.96 1.75 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 2.19 2.51 0.00 16 L 8.79 4.97 0.00 1.67 1.66 1.21 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.36 4.78 0.00 2.00 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 2.35 0.00 18 L 8.61 4.65 0.00 1.68 1.65 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.50 4.81 0.00 2.88 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 20 D 8.74 4.31 0.00 2.69 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 21 N 8.37 4.69 0.00 2.80 2.90 0.00 0.00 6.21 7.00 0.00 0.00 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 G 8.50 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 0.00 0.00 0.00 23 S 9.04 4.62 0.00 3.81 4.09 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 24 I 8.44 4.25 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 0.95 0.00 0.00 25 K 8.50 4.10 0.00 1.66 1.76 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.62 7.81 26 Q 8.62 4.24 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 27 L 8.31 4.41 0.00 1.55 1.49 0.87 0.85 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 28 S 8.46 4.52 0.00 3.78 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 29 I 7.57 4.47 1.41 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 0.52 0.00 0.00 30 P 0.00 4.46 0.00 2.10 2.05 0.00 3.58 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 31 N 8.28 4.70 0.00 2.67 2.36 0.00 0.00 6.68 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 32 K 7.63 4.35 0.00 1.67 1.16 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.42 7.81 33 Y 8.50 4.98 0.00 2.88 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 34 N 8.23 4.24 0.00 2.95 2.87 0.00 0.00 7.09 7.56 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 35 V 7.91 5.02 2.21 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 0.80 0.00 0.00 0.95 0.00 0.00 36 I 8.40 4.75 1.84 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 1.36 1.24 0.94 0.00 0.00 37 Y 9.03 5.63 0.00 3.37 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 38 A 9.37 4.95 0.66 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 39 I 8.47 4.43 1.60 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.02 0.38 0.00 0.00 40 A 8.92 4.86 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 4.67 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.95 0.90 0.00 0.00 42 N 9.58 4.13 0.00 2.80 2.85 0.00 0.00 7.17 8.05 0.00 0.00 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 D 8.30 4.51 0.00 2.80 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 44 E 7.59 4.60 0.00 2.01 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 2.18 2.36 0.00 45 L 8.18 4.01 0.00 1.11 1.22 0.44 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.05 3.99 0.67 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 0.19 0.00 0.00 -0.72 0.00 0.00 47 Y 7.20 5.10 0.00 3.03 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 48 I 8.11 4.34 1.59 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.98 0.72 0.00 0.00 49 G 8.00 3.78 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 0.00 50 K 8.34 5.38 0.00 1.77 1.76 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.45 7.81 51 T 8.54 4.69 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 1.24 0.00 0.00 52 K 8.90 4.27 0.00 1.80 1.89 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.46 7.81 53 N 8.28 4.78 0.00 2.83 2.68 0.00 0.00 6.67 6.17 0.00 0.00 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 L 8.77 3.70 0.00 1.47 1.16 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.72 3.91 0.00 1.92 1.98 0.00 3.26 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 56 K 8.13 3.93 0.00 2.12 1.81 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 57 R 7.72 3.64 0.00 1.74 1.74 0.00 2.95 0.00 0.00 2.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.00 58 I 7.69 3.67 1.75 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.41 0.52 0.00 0.00 59 N 8.10 4.31 0.00 2.90 2.87 0.00 0.00 6.70 7.52 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 60 Y 8.03 3.94 0.00 3.04 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 61 Y 7.76 4.33 0.00 3.39 3.04 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 62 R 8.34 3.92 0.00 1.90 2.10 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 63 T 8.31 3.76 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 1.13 0.00 0.00 64 A 7.81 3.84 1.16 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 65 I 7.70 3.60 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.72 0.76 0.00 0.00 66 N 8.21 4.35 0.00 2.71 2.86 0.00 0.00 7.13 7.63 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 67 R 8.22 4.15 0.00 1.76 1.92 0.00 3.45 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 68 K 7.59 3.68 0.00 1.87 1.84 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.31 7.81 69 D 8.37 4.55 0.00 2.51 2.58 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 70 K 8.53 4.48 0.00 1.75 1.77 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 71 T 8.09 4.25 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 1.21 0.00 0.00 72 S 7.94 4.31 0.00 3.90 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 73 D 7.65 4.33 0.00 2.76 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 74 S 7.76 4.82 0.00 3.99 4.01 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 75 T 8.05 3.72 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 1.02 0.00 0.00 76 K 7.84 3.38 0.00 1.84 1.80 0.00 1.08 0.00 0.00 0.75 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.24 1.33 7.81 77 S 8.19 4.21 0.00 4.04 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 78 A 8.42 4.02 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 79 L 7.76 3.72 0.00 0.45 0.53 -0.26 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.82 3.91 2.05 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.81 1.01 0.00 0.00 81 H 8.31 4.29 0.00 3.32 3.41 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.14 4.16 0.00 4.11 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 83 A 8.12 4.00 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 84 L 8.13 3.95 0.00 1.95 1.78 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.14 3.98 0.00 1.80 1.82 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.64 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 86 E 8.29 4.23 0.00 2.12 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 2.35 2.37 0.00 87 G 7.89 3.87 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 0.00 0.00 0.00 88 S 8.05 4.60 0.00 3.92 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 89 K 8.90 4.36 0.00 1.85 1.66 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.49 7.81 90 V 8.44 4.71 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 1.02 0.00 0.00 0.97 0.00 0.00 91 E 9.29 5.22 0.00 1.98 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 2.21 2.26 0.00 92 F 9.32 5.40 0.00 3.06 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 93 Y 9.58 5.32 0.00 2.77 3.11 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 94 A 9.40 5.37 1.21 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 95 R 9.20 4.48 0.00 0.67 1.11 0.00 2.94 0.00 0.00 2.78 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.28 0.00 96 Q 8.78 4.38 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 97 C 8.53 5.14 0.00 3.09 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 98 F 8.12 5.02 0.00 3.17 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 99 N 9.11 5.51 0.00 2.68 2.73 0.00 0.00 6.63 6.74 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 0.00 100 L 8.81 4.99 0.00 1.56 1.57 1.00 1.06 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 0.00 101 S 8.30 4.59 0.00 3.71 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 *103 T 8.39 4.37 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 1.24 0.00 0.00 104 N 8.45 4.89 0.00 2.90 2.89 0.00 0.00 6.37 7.67 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 0.00 105 E 8.84 4.07 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 2.28 2.28 0.00 106 L 7.94 4.16 0.00 1.84 1.76 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.39 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 0.00 0.00 0.00 108 T 8.12 4.83 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 *110 T 8.05 4.40 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 0.00 111 I 8.67 4.64 1.84 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 1.11 1.33 0.93 0.00 0.00 112 A 8.79 4.91 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 0.00 113 T 8.57 3.72 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 0.18 0.00 0.00 114 I 7.73 3.68 1.90 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 1.62 0.70 0.97 0.00 0.00 115 D 7.96 4.40 0.00 2.85 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 0.00 116 L 7.63 4.23 0.00 1.78 1.64 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.28 4.00 0.00 2.10 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 0.00 2.25 2.46 0.00 118 A 8.02 4.11 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 0.00 119 P 0.00 4.19 0.00 2.13 2.10 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 2.18 2.17 0.00 120 L 7.22 3.95 0.00 1.58 1.42 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.29 4.02 0.00 3.18 3.02 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 0.00 122 I 7.96 3.70 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.86 0.91 0.00 0.00 123 K 7.79 3.90 0.00 1.71 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.39 7.81 124 L 7.38 3.82 0.00 1.42 1.15 0.67 0.16 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 0.00 125 F 8.00 4.62 0.00 2.95 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 0.00 126 N 8.43 4.24 0.00 2.85 2.86 0.00 0.00 6.99 7.92 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 0.00 127 P 0.00 4.37 0.00 2.37 1.84 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 128 P 0.00 4.37 0.00 2.21 2.24 0.00 3.60 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 1.93 2.11 0.00 129 W 8.47 4.61 0.00 3.59 3.19 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 0.00 130 N 8.10 4.85 0.00 2.97 2.84 0.00 0.00 6.98 6.73 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 0.00 131 I 8.41 3.98 1.94 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 1.51 0.79 0.95 0.00 0.00 132 Q 8.66 4.24 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 * Residues marked with a * may have inaccurate shift predictions.