NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7491 8.1633 120.2779 55.3552 34.2636 173.8408 2 K 4.7210 8.9333 119.4319 53.9104 37.0479 173.6387 3 K 4.7482 9.9596 126.8336 55.3705 34.6523 174.8480 4 I 4.7961 9.1878 128.7012 59.6011 39.6466 174.0660 5 E 5.1264 9.3207 128.9791 54.3392 32.0576 174.2753 6 A 4.9482 8.9198 129.2567 50.0640 22.3384 174.6199 7 I 4.7891 8.3969 123.9855 59.6998 39.1958 175.0001 8 I 4.9136 8.7478 120.4430 58.3001 41.6825 175.0121 9 K 4.3520 8.1945 121.3145 55.4959 32.8019 176.4512 10 P 4.2256 0.0000 0.0000 65.9618 31.0666 178.9178 11 F 4.4152 8.2122 111.0651 59.2329 38.1520 176.5544 12 K 4.0275 7.2331 117.9404 56.6445 31.9107 178.2371 13 L 3.8774 7.7086 122.2514 58.5017 41.9833 178.6206 14 D 4.3373 8.0276 118.0485 57.3121 40.7136 178.5429 15 E 3.9374 8.0545 118.6176 59.4299 29.5643 179.4239 16 V 3.5235 7.8525 118.2994 65.6955 31.5951 177.8924 17 K 3.8798 8.2535 119.6241 59.6456 32.0571 178.5100 18 D 4.3180 8.2780 118.8852 57.3834 40.6597 178.5458 19 A 4.1758 8.2198 121.4484 55.2736 18.3134 179.7558 20 L 3.9431 8.1259 117.5377 57.8536 41.7036 179.7988 21 V 3.6067 7.9103 118.2463 65.9561 31.1931 177.8243 22 E 4.0260 8.1007 117.7876 59.1743 29.3554 178.4460 23 I 4.2758 7.2475 110.2145 60.8961 37.8480 176.4410 24 G 3.8918 7.7930 107.5697 45.8034 0.0000 173.8936 25 I 3.8807 7.5609 121.1945 60.8470 37.3578 176.6534 26 G 3.7316 8.8317 115.2907 48.0523 0.0000 173.4242 27 G 4.2357 7.5755 105.8802 44.7580 0.0000 171.3304 28 M 4.9245 8.0526 115.1524 54.4573 34.0039 173.9032 29 T 4.6687 8.8065 117.3076 61.7977 71.5890 173.3128 30 V 4.9668 8.4190 125.1789 61.4128 34.3409 174.6495 31 T 4.7384 8.7267 123.0807 61.7117 72.6063 172.7862 32 E 4.5647 8.7597 124.9217 56.1761 30.6036 176.1818 33 V 4.5776 8.4937 116.4090 59.8975 36.9124 174.0010 34 K 5.0217 8.1300 119.2924 55.3856 35.8389 176.2604 35 G 4.2555 9.2334 109.2185 45.9609 0.0000 172.3050 36 F 4.9893 8.1123 119.1782 56.6666 41.9175 175.0340 *54 D 4.2788 8.5499 118.5550 53.8279 41.5630 174.3303 55 F 5.1645 8.6060 120.1754 56.7519 40.2787 175.3602 56 L 5.0715 8.9447 125.9762 52.0217 44.5509 174.2565 57 P 4.8978 0.0000 0.0000 63.1626 32.4460 175.3440 58 K 4.8264 9.2128 121.1662 55.0233 37.6891 174.8542 59 V 4.7496 8.9309 120.4685 61.1344 34.6416 173.8685 60 K 4.9248 9.0432 129.4322 54.8901 34.1531 174.6997 61 I 4.9675 8.8969 128.3472 59.5578 40.2145 174.3983 62 E 5.1998 9.2626 125.5333 54.7403 33.0233 175.3868 63 V 4.7580 8.7588 116.2716 59.5518 36.5672 174.4749 64 V 4.7859 8.3867 122.4637 61.3916 33.8224 174.8656 65 V 4.6644 8.7934 119.9597 59.3065 36.7385 175.2032 66 R 4.3335 8.4374 120.0535 56.1111 30.3868 177.6865 67 D 4.3944 8.9576 121.2158 57.7404 40.8898 178.9369 68 E 4.1245 8.1214 114.3290 58.0594 30.2485 177.3722 69 D 4.7131 8.1514 119.3408 54.3215 41.3527 178.1953 70 V 3.5735 7.3764 119.5647 66.2560 31.4611 177.5419 71 E 3.9402 8.1669 117.5527 59.3628 29.3308 179.1883 72 K 3.8994 7.9872 119.0655 59.4458 32.3255 178.8701 73 V 3.5577 7.6730 118.0929 65.8884 31.3776 178.1351 74 V 3.5573 8.0578 118.2832 66.0307 31.3285 177.7354 75 E 3.9349 8.3830 118.4620 59.8213 29.3615 179.4842 76 T 3.8561 7.9780 115.5646 66.7472 68.4719 176.7701 77 I 3.6733 7.8374 121.6069 64.2064 37.2075 178.6294 78 V 3.5257 7.9752 119.2528 66.0495 31.1820 178.0997 79 K 3.9351 8.1041 117.0808 59.9543 31.9625 179.1071 80 T 4.0769 7.9024 114.5387 65.7345 68.6165 176.1450 81 A 4.3577 7.8795 120.3601 51.3888 19.7624 177.0686 82 Q 4.2351 7.4687 119.4602 56.1125 29.4745 175.6846 83 T 4.4621 10.1090 114.9321 60.9528 70.5325 175.1670 84 G 3.9574 8.8146 110.1009 45.1628 0.0000 173.6288 85 R 4.4296 7.0854 118.1371 54.3962 31.5758 176.3541 86 V 3.6306 7.9767 119.1307 64.5046 31.5048 176.1389 87 G 4.0156 8.9343 113.2915 45.7854 0.0000 175.0065 88 D 4.3372 7.9092 120.3340 55.6083 40.9964 175.5827 89 G 4.2116 7.6568 103.2263 44.9538 0.0000 172.1790 90 K 4.6525 8.0105 115.6065 54.7102 37.0024 175.6241 91 I 4.6023 7.9722 121.3818 59.5014 40.2116 174.9910 92 F 5.2289 9.2947 125.9864 55.7759 42.0577 174.3531 93 I 4.8663 8.5595 123.5012 59.7565 38.9487 175.0049 94 I 4.7563 8.6877 128.2713 58.4684 40.5952 173.4625 95 P 4.7032 0.0000 0.0000 62.7883 32.2577 175.6263 96 V 4.4094 8.0242 122.1125 61.4321 33.0134 175.3768 97 E 4.2293 9.0015 126.9219 57.8701 30.1120 175.8339 98 D 4.4434 7.2179 114.5180 53.3534 43.9604 174.6243 99 V 4.5667 7.8530 123.0710 61.1374 35.1129 174.0249 100 I 4.9291 8.2921 126.9122 59.4828 40.5366 174.7266 101 R 4.2343 9.2468 128.1761 55.2376 30.3753 177.0523 102 I 3.6433 8.5991 128.3601 64.4666 37.5002 177.4875 103 R 4.0438 8.1827 119.3565 58.7771 29.9374 176.8835 104 T 4.3383 8.0446 105.0871 60.7725 70.5534 175.2147 105 G 3.9550 8.8693 110.0103 44.9284 0.0000 173.5983 106 E 4.0814 7.9694 119.8625 56.5542 30.0743 176.1905 107 R 5.0595 8.0495 119.5062 54.3892 35.1543 176.6466 108 G 3.8374 8.6958 107.8979 46.4337 0.0000 176.1924 109 E 4.0146 8.9456 119.2209 59.7221 29.4688 179.1158 110 Q 4.0765 7.8514 115.8987 57.6599 28.8119 176.5732 111 A 4.4741 8.2746 119.6385 50.8291 19.9370 176.6290 112 I 3.5520 7.3799 114.6979 61.1914 39.0226 173.4237 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 8.16 4.75 0.00 2.05 2.05 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 2.59 2.58 0.00 2 K 8.93 4.72 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.60 7.81 3 K 9.96 4.75 0.00 1.80 1.68 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 I 9.19 4.80 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 1.12 0.86 0.89 0.00 0.00 5 E 9.32 5.13 0.00 2.05 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 2.24 2.25 0.00 6 A 8.92 4.95 1.10 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 0.00 0.00 7 I 8.40 4.79 1.74 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.16 0.86 0.00 0.00 8 I 8.75 4.91 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.98 0.81 0.00 0.00 9 K 8.19 4.35 0.00 1.39 1.62 0.00 1.72 0.00 0.00 2.09 0.00 0.00 3.02 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.56 1.49 7.81 10 P 0.00 4.23 0.00 2.23 2.15 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 11 F 8.21 4.42 0.00 3.16 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 12 K 7.23 4.03 0.00 1.61 1.64 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 1.15 7.81 13 L 7.71 3.88 0.00 1.76 1.71 0.89 1.21 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 14 D 8.03 4.34 0.00 2.82 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 15 E 8.05 3.94 0.00 2.11 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 2.42 2.38 0.00 16 V 7.85 3.52 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 0.95 0.00 0.00 0.92 0.00 0.00 17 K 8.25 3.88 0.00 1.87 1.97 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.62 7.81 18 D 8.28 4.32 0.00 2.89 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 19 A 8.22 4.18 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 20 L 8.13 3.94 0.00 1.83 1.71 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.91 3.61 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 1.03 0.00 0.00 0.98 0.00 0.00 22 E 8.10 4.03 0.00 2.24 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 2.34 2.49 0.00 23 I 7.25 4.28 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.66 0.90 0.00 0.00 24 G 7.79 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 0.00 0.00 0.00 25 I 7.56 3.88 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 0.91 0.00 0.00 26 G 8.83 3.73 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 0.00 0.00 0.00 27 G 7.58 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 0.00 0.00 0.00 0.00 28 M 8.05 4.92 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 29 T 8.81 4.67 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 30 V 8.42 4.97 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 0.80 0.00 0.00 0.91 0.00 0.00 31 T 8.73 4.74 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 1.19 0.00 0.00 32 E 8.76 4.56 0.00 1.83 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 2.29 2.33 0.00 33 V 8.49 4.58 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 0.73 0.00 0.00 0.94 0.00 0.00 34 K 8.13 5.02 0.00 1.27 1.49 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.35 7.81 35 G 9.23 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 0.00 0.00 0.00 0.00 36 F 8.11 4.99 0.00 3.02 2.74 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 *54 D 8.55 4.28 0.00 2.71 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 55 F 8.61 5.16 0.00 3.16 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 56 L 8.94 5.07 0.00 1.67 1.63 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.90 0.00 2.10 2.08 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 58 K 9.21 4.83 0.00 1.59 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.52 7.81 59 V 8.93 4.75 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 0.71 0.00 0.00 0.91 0.00 0.00 60 K 9.04 4.92 0.00 1.82 1.62 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.37 7.81 61 I 8.90 4.97 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 1.19 0.59 0.88 0.00 0.00 62 E 9.26 5.20 0.00 1.84 1.80 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 2.22 2.25 0.00 63 V 8.76 4.76 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 0.81 0.00 0.00 0.92 0.00 0.00 64 V 8.39 4.79 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 0.82 0.00 0.00 0.93 0.00 0.00 65 V 8.79 4.66 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 0.71 0.00 0.00 0.93 0.00 0.00 66 R 8.44 4.33 0.00 2.02 1.99 0.00 3.15 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 67 D 8.96 4.39 0.00 2.73 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 68 E 8.12 4.12 0.00 2.07 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 0.00 2.27 2.27 0.00 69 D 8.15 4.71 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 3.57 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 1.13 0.00 0.00 0.99 0.00 0.00 71 E 8.17 3.94 0.00 2.01 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 2.40 2.32 0.00 72 K 7.99 3.90 0.00 1.86 1.94 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.55 7.81 73 V 7.67 3.56 2.22 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 0.92 0.00 0.00 0.92 0.00 0.00 74 V 8.06 3.56 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 1.05 0.00 0.00 0.96 0.00 0.00 75 E 8.38 3.93 0.00 2.18 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 2.33 2.55 0.00 76 T 7.98 3.86 4.35 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 1.24 0.00 0.00 77 I 7.84 3.67 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 1.36 0.69 0.84 0.00 0.00 78 V 7.98 3.53 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 1.02 0.00 0.00 0.96 0.00 0.00 79 K 8.10 3.94 0.00 1.91 1.86 0.00 1.74 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 1.47 1.60 7.81 80 T 7.90 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 1.22 0.00 0.00 81 A 7.88 4.36 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 82 Q 7.47 4.24 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 83 T 10.11 4.46 4.33 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 1.41 0.00 0.00 84 G 8.81 3.96 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 0.00 0.00 0.00 85 R 7.09 4.43 0.00 1.81 1.91 0.00 3.36 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 86 V 7.98 3.63 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 0.81 0.00 0.00 0.95 0.00 0.00 87 G 8.93 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 88 D 7.91 4.34 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.66 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 90 K 8.01 4.65 0.00 1.17 1.39 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 91 I 7.97 4.60 1.78 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 1.22 0.47 0.85 0.00 0.00 92 F 9.29 5.23 0.00 2.91 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 93 I 8.56 4.87 1.91 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 1.39 0.87 0.93 0.00 0.00 94 I 8.69 4.76 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.91 0.00 0.00 95 P 0.00 4.70 0.00 2.07 2.05 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.02 4.41 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 0.85 0.00 0.00 0.97 0.00 0.00 97 E 9.00 4.23 0.00 1.99 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 2.29 2.29 0.00 98 D 7.22 4.44 0.00 2.55 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 4.57 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 1.03 0.00 0.00 0.93 0.00 0.00 100 I 8.29 4.93 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 1.23 0.66 0.96 0.00 0.00 101 R 9.25 4.23 0.00 1.84 1.81 0.00 3.16 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 102 I 8.60 3.64 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 1.30 0.65 0.91 0.00 0.00 103 R 8.18 4.04 0.00 1.76 1.96 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 8.04 4.34 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 0.00 105 G 8.87 3.96 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 0.00 0.00 0.00 106 E 7.97 4.08 0.00 2.06 1.88 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 2.33 2.29 0.00 107 R 8.05 5.06 0.00 1.81 1.86 0.00 3.27 0.00 0.00 3.51 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 108 G 8.70 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 0.00 0.00 0.00 109 E 8.95 4.01 0.00 2.08 2.04 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 2.41 2.42 0.00 110 Q 7.85 4.08 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 111 A 8.27 4.47 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 0.00 112 I 7.38 3.55 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 1.15 0.51 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.