NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2148 8.3044 120.3395 56.5090 33.6963 174.6878 2 N 3.9682 8.6147 121.8816 54.4932 37.3774 173.1622 3 N 4.4638 8.2785 118.4244 56.0591 40.5479 175.8986 4 L 4.3026 7.7648 119.0399 55.2627 42.7509 175.4344 5 K 4.8063 9.3706 126.5778 54.8136 36.7332 174.4445 6 L 4.8854 8.2554 121.0141 52.6362 45.2668 176.9743 7 D 4.8977 8.2905 123.9734 52.9271 39.9175 175.2816 8 I 4.1213 7.3830 120.7524 61.3630 38.6916 177.0235 9 V 4.6112 8.8620 124.9517 61.7655 35.1903 174.9852 10 E 5.0284 8.8032 122.2262 54.7536 31.5732 176.7432 11 Q 4.2541 8.1781 118.4088 57.0696 29.1332 175.0773 12 D 4.8113 7.6222 114.7343 54.8438 41.9410 175.2027 13 D 4.6964 8.7657 114.3109 53.8012 38.6572 173.7639 14 K 4.5184 7.6193 119.9022 54.8388 35.6706 175.6762 15 A 4.9324 9.2793 131.0058 51.6139 17.3000 174.6989 16 I 4.6822 8.6836 122.1132 60.1423 39.5335 175.4494 17 V 4.4944 8.5971 125.7282 59.8724 34.1402 175.1648 18 R 4.3756 8.4595 126.6305 55.3574 30.4429 176.5319 19 V 3.9985 8.1699 124.9770 63.2517 32.5202 175.8789 20 Q 4.4638 10.5092 126.9624 55.7859 30.8115 174.8809 21 G 4.4924 8.0410 113.8065 44.1571 0.0000 169.6081 22 D 5.1739 7.9000 120.8436 52.3854 41.9115 176.3923 23 I 4.6496 8.8583 118.6630 59.8831 40.0293 174.0835 24 D 5.7134 8.3021 128.4594 51.4089 42.5756 176.2546 25 A 4.2866 8.8150 119.5064 54.3815 18.3856 178.2285 26 Y 4.2641 8.4408 112.9800 59.2757 38.7103 176.2064 27 N 4.9280 8.0881 114.7324 53.9164 41.9665 176.4002 28 S 4.2061 8.7519 113.8033 61.8640 62.4812 176.6114 29 S 4.2140 8.1672 117.1402 60.8180 62.7551 175.1048 30 E 4.4803 8.3773 119.2356 58.0213 30.9765 177.8156 31 L 3.9041 8.0066 119.6724 58.3878 41.8251 178.8503 32 K 3.9162 8.2255 119.4196 59.5790 32.4330 178.7239 33 E 4.1164 8.1100 116.9864 58.8808 29.6886 178.5239 34 Q 4.1369 8.1265 119.3343 58.4199 29.0422 178.0758 35 L 4.2827 8.0512 120.1170 57.8746 41.3612 179.7298 36 R 3.8765 8.4875 118.5571 58.8859 29.8392 178.6157 37 N 4.1490 8.0302 116.6546 56.6505 38.9596 176.3294 38 F 4.5710 8.5069 123.7860 61.0176 39.1761 177.1538 39 I 3.0738 7.5049 117.6211 64.1444 36.8419 178.0688 40 S 4.5800 7.4304 114.5362 60.7670 62.6685 175.9970 41 T 4.0556 8.0587 112.7163 63.7556 68.5102 174.5479 42 T 5.0502 7.4889 116.3839 61.2398 67.6947 174.0275 43 S 4.3824 8.9157 123.1714 59.1029 62.7754 174.1536 44 K 4.2736 7.8904 120.5786 56.2276 32.6827 177.8555 45 K 4.1678 8.7478 122.8814 58.1886 33.5156 176.2696 46 K 4.7350 7.7154 120.7850 55.4841 34.0515 175.2949 47 I 4.9329 8.2388 126.6531 59.9334 39.6905 175.2685 48 V 4.2357 8.9487 126.3705 61.0496 33.7402 173.5616 49 L 4.7749 8.9816 130.8808 54.1800 42.0961 174.0676 50 D 4.8787 8.9084 124.9724 53.0455 41.7254 176.0718 51 L 4.4175 8.9252 125.2959 54.8354 41.5377 179.2535 52 S 4.2988 8.1432 113.5853 60.1205 62.7464 174.3253 53 S 4.5943 7.7810 113.3375 57.8727 63.9386 173.8407 54 V 4.5301 7.5282 118.7981 62.6231 32.1710 174.8454 55 S 4.5020 8.5633 116.8639 59.6124 66.2778 173.2915 56 Y 4.6109 7.9184 121.0374 56.5187 40.5981 174.1485 57 M 4.8196 7.6616 125.5839 54.7801 35.1154 172.8202 58 D 4.3409 9.3668 131.7362 55.1060 41.5236 178.5431 *60 A 4.3283 9.3998 122.6489 51.9628 20.8557 180.3226 61 G 3.6425 8.0567 101.6903 47.5669 0.0000 175.3686 62 L 4.2617 8.0396 122.8617 58.1533 42.1334 179.3383 63 G 3.7489 8.1679 105.0256 48.0240 0.0000 175.3645 64 T 3.8680 7.7152 117.3699 66.7393 68.5566 176.5445 65 L 3.9183 7.7708 120.5830 57.8169 41.5038 179.8322 66 V 3.8904 7.9049 117.7888 65.7738 31.5266 177.9868 67 V 3.4986 7.9390 118.3112 66.1959 31.4223 177.9987 68 I 3.3822 7.6502 119.5482 64.0035 36.7812 178.1326 69 L 3.4119 7.1573 120.8765 58.0089 42.0319 178.9443 70 K 3.8825 7.7038 119.1432 59.7171 31.9984 178.4364 71 D 4.2960 8.1030 118.9727 56.8204 40.5759 178.4292 72 A 3.8474 7.7113 121.4623 55.2709 18.3935 179.9390 73 K 3.9481 8.1808 116.9349 59.3047 31.8372 179.4238 74 I 3.6581 7.4764 119.5111 64.7390 37.3666 177.6098 75 N 4.5912 8.2909 114.7005 52.8496 38.4016 175.3776 76 G 3.8666 7.9726 108.7837 46.6957 0.0000 173.1292 77 K 4.7548 8.1383 117.0496 54.4230 36.2244 175.6429 78 E 4.4954 8.7526 120.2465 56.1398 30.7350 176.6402 79 F 5.0921 8.5084 122.7198 57.2394 42.1547 173.5021 80 I 5.4114 8.5084 125.3553 58.4532 41.7557 174.2819 81 L 5.3332 8.1552 122.8924 53.3002 46.0250 174.9716 82 S 5.2526 8.5151 113.3310 57.2761 66.5744 173.1579 83 S 3.9225 8.1335 114.7599 59.5302 59.9353 172.2785 84 L 4.0545 7.9321 120.3229 54.5317 41.3644 178.3498 85 K 4.2465 8.4042 123.6099 55.7279 34.1785 177.7078 86 E 3.9557 8.7338 120.3792 60.8187 29.4237 179.1266 87 S 4.1311 8.3551 114.0923 60.9697 62.4085 176.2325 88 I 3.6638 7.6950 125.5249 64.9859 37.7045 177.6754 89 S 4.2142 8.6360 113.7926 61.6023 62.1111 175.9701 90 R 3.9325 7.7430 120.5305 59.6989 29.4944 177.7934 91 I 4.1558 7.4041 115.5071 61.6478 37.1173 176.2063 92 L 4.5948 7.8476 122.1811 56.1416 43.7306 179.0995 93 K 4.0523 7.8944 117.4047 58.5155 32.3724 178.9890 94 L 4.0311 8.1035 119.1294 58.2743 40.2410 177.8596 95 T 4.3000 7.2413 114.1774 63.1127 69.7874 173.2966 96 H 4.1276 8.2495 115.8664 56.8734 27.0178 177.1194 97 L 3.6248 7.8621 122.4428 57.2176 41.0945 178.7320 98 D 4.6495 8.2872 120.1805 54.8076 39.0698 177.5862 99 K 4.2585 7.7160 118.7517 57.8537 33.2675 178.0919 100 I 4.0548 7.1480 120.1991 62.7751 37.7982 176.4038 101 F 5.0096 7.7305 116.6746 56.1148 39.7235 176.5772 102 K 3.8489 7.8083 121.9859 57.2067 32.0031 172.8784 103 I 4.4502 7.6125 113.8842 60.8744 40.9553 174.3140 104 T 4.8667 8.2691 113.0594 59.6961 71.5441 174.6139 105 D 4.2269 8.7865 123.7760 57.0956 41.5527 175.9821 106 T 4.7364 7.3787 106.5986 59.5397 72.2182 174.4087 107 V 3.6249 8.2790 119.4168 64.5511 31.2927 177.7815 108 E 4.1562 7.6534 118.7267 58.1212 29.3538 177.1702 109 E 4.3636 8.2386 117.0373 56.1995 30.6183 175.8922 110 A 4.2941 7.7097 126.7918 52.1478 19.0836 176.7300 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 M 8.30 4.21 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 2 N 8.61 3.97 0.00 2.91 2.79 0.00 0.00 7.07 6.90 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 3 N 8.28 4.46 0.00 2.72 2.83 0.00 0.00 7.11 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 4 L 7.76 4.30 0.00 1.84 1.60 0.93 0.54 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 5 K 9.37 4.81 0.00 1.80 1.67 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.42 7.81 6 L 8.26 4.89 0.00 1.42 1.33 0.92 0.82 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 7 D 8.29 4.90 0.00 2.79 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 8 I 7.38 4.12 1.82 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 0.40 0.38 1.00 0.00 0.00 9 V 8.86 4.61 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 0.95 0.00 0.00 0.92 0.00 0.00 10 E 8.80 5.03 0.00 2.05 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 2.37 2.31 0.00 11 Q 8.18 4.25 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.45 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 12 D 7.62 4.81 0.00 2.61 2.57 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 0.00 0.00 0.00 0.00 13 D 8.77 4.70 0.00 2.94 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 14 K 7.62 4.52 0.00 1.79 1.62 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.47 7.81 15 A 9.28 4.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.68 4.68 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 1.31 0.76 0.98 0.00 0.00 17 V 8.60 4.49 1.59 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 0.39 0.00 0.00 0.48 0.00 0.00 18 R 8.46 4.38 0.00 1.72 1.92 0.00 3.12 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 19 V 8.17 4.00 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 0.73 0.00 0.00 0.91 0.00 0.00 20 Q 10.51 4.46 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 21 G 8.04 4.49 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 22 D 7.90 5.17 0.00 2.83 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 23 I 8.86 4.65 1.95 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 1.34 0.83 0.97 0.00 0.00 24 D 8.30 5.71 0.00 2.83 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 25 A 8.81 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.44 4.26 0.00 3.24 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 27 N 8.09 4.93 0.00 2.77 2.83 0.00 0.00 7.24 7.60 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 28 S 8.75 4.21 0.00 4.14 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 0.00 29 S 8.17 4.21 0.00 4.02 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 30 E 8.38 4.48 0.00 1.97 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 0.00 2.26 2.52 0.00 31 L 8.01 3.90 0.00 1.72 1.94 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.23 3.92 0.00 2.02 1.80 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 33 E 8.11 4.12 0.00 2.23 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 2.57 2.40 0.00 34 Q 8.13 4.14 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 35 L 8.05 4.28 0.00 1.99 1.80 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.49 3.88 0.00 1.90 1.95 0.00 3.20 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 37 N 8.03 4.15 0.00 3.01 2.91 0.00 0.00 6.74 6.99 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 38 F 8.51 4.57 0.00 3.01 3.22 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 39 I 7.50 3.07 1.69 0.00 0.00 0.48 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 0.73 0.00 0.00 40 S 7.43 4.58 0.00 3.71 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 41 T 8.06 4.06 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 1.29 0.00 0.00 42 T 7.49 5.05 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 0.86 0.00 0.00 43 S 8.92 4.38 0.00 3.87 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 44 K 7.89 4.27 0.00 1.85 1.73 0.00 1.75 0.00 0.00 1.95 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.44 7.81 45 K 8.75 4.17 0.00 1.76 1.92 0.00 1.53 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.48 7.81 46 K 7.72 4.73 0.00 1.96 1.99 0.00 1.32 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.61 7.81 47 I 8.24 4.93 2.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.82 1.32 0.00 0.00 48 V 8.95 4.24 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 0.97 0.00 0.00 0.97 0.00 0.00 49 L 8.98 4.77 0.00 2.03 1.61 1.02 1.58 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 50 D 8.91 4.88 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.93 4.42 0.00 1.75 1.67 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.14 4.30 0.00 3.97 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 53 S 7.78 4.59 0.00 3.93 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 54 V 7.53 4.53 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 1.36 0.00 0.00 1.01 0.00 0.00 55 S 8.56 4.50 0.00 3.84 3.84 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 56 Y 7.92 4.61 0.00 3.10 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 57 M 7.66 4.82 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 58 D 9.37 4.34 0.00 3.05 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 0.00 0.00 0.00 0.00 *60 A 9.40 4.33 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 61 G 8.06 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.26 0.00 1.80 1.70 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.17 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 0.00 0.00 0.00 64 T 7.72 3.87 4.46 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 1.23 0.00 0.00 65 L 7.77 3.92 0.00 1.94 1.55 1.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.90 3.89 2.33 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 1.17 0.00 0.00 1.25 0.00 0.00 67 V 7.94 3.50 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 1.01 0.00 0.00 0.98 0.00 0.00 68 I 7.65 3.38 1.26 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 1.37 0.86 0.40 0.00 0.00 69 L 7.16 3.41 0.00 1.56 1.87 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.70 3.88 0.00 1.83 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 71 D 8.10 4.30 0.00 2.68 2.54 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 72 A 7.71 3.85 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 73 K 8.18 3.95 0.00 1.78 1.88 0.00 1.74 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.67 1.67 7.81 74 I 7.48 3.66 2.01 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 1.50 0.57 0.88 0.00 0.00 75 N 8.29 4.59 0.00 2.87 2.77 0.00 0.00 7.26 7.23 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 76 G 7.97 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 77 K 8.14 4.75 0.00 1.85 1.73 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.32 7.81 78 E 8.75 4.50 0.00 2.10 1.98 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 2.37 2.28 0.00 79 F 8.51 5.09 0.00 2.79 2.92 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 0.00 0.00 0.00 80 I 8.51 5.41 1.99 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 1.23 0.19 0.87 0.00 0.00 81 L 8.16 5.33 0.00 1.50 1.58 1.02 0.44 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 82 S 8.52 5.25 0.00 3.86 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 83 S 8.13 3.92 0.00 4.27 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 84 L 7.93 4.05 0.00 1.63 1.65 0.96 0.99 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 85 K 8.40 4.25 0.00 1.77 1.75 0.00 1.72 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 1.54 1.72 7.81 86 E 8.73 3.96 0.00 2.01 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 2.41 2.42 0.00 87 S 8.36 4.13 0.00 3.88 3.84 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 88 I 7.70 3.66 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.89 0.92 0.00 0.00 89 S 8.64 4.21 0.00 3.97 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 90 R 7.74 3.93 0.00 2.07 2.08 0.00 3.17 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 1.62 1.72 0.00 91 I 7.40 4.16 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.75 0.87 0.00 0.00 92 L 7.85 4.59 0.00 1.82 1.67 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.89 4.05 0.00 1.85 1.84 0.00 1.54 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.62 7.81 94 L 8.10 4.03 0.00 1.68 1.94 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.24 4.30 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 1.14 0.00 0.00 96 H 8.25 4.13 0.00 3.35 3.31 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.86 3.62 0.00 1.67 1.14 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.29 4.65 0.00 2.83 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 99 K 7.72 4.26 0.00 1.90 1.92 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.45 7.81 100 I 7.15 4.05 1.02 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.56 0.87 0.00 0.00 101 F 7.73 5.01 0.00 2.75 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 0.00 0.00 0.00 0.00 102 K 7.81 3.85 0.00 1.88 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.35 7.81 103 I 7.61 4.45 1.85 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 1.46 0.66 0.90 0.00 0.00 104 T 8.27 4.87 4.42 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 1.23 0.00 0.00 105 D 8.79 4.23 0.00 2.86 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 0.00 106 T 7.38 4.74 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 0.00 107 V 8.28 3.62 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 0.71 0.00 0.00 0.94 0.00 0.00 108 E 7.65 4.16 0.00 2.08 2.05 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 2.35 2.28 0.00 109 E 8.24 4.36 0.00 2.06 1.98 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 2.26 2.23 0.00 110 A 7.71 4.29 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 * Residues marked with a * may have inaccurate shift predictions.