NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.2767 8.1627 120.3536 55.4674 33.5794 175.7500 *34 L 4.4524 8.3423 125.8799 55.8741 44.2637 179.7006 35 R 4.0015 8.0395 122.1276 61.6896 29.2204 182.2299 36 E 4.2273 8.0346 116.8548 61.0592 29.8918 182.5665 37 D 4.3524 7.8311 118.8714 57.1210 40.7818 178.2718 38 E 2.0000 7.6073 119.8641 58.4372 29.5164 178.4659 39 S 3.8651 7.6452 112.6028 61.5858 62.4377 176.1059 40 A 3.9393 7.7020 123.0715 55.1291 17.9758 178.7336 41 C 4.1298 7.9911 116.9567 59.8161 44.9040 175.9088 42 L 3.9378 7.8804 120.7012 58.0323 41.0267 179.5728 43 Q 3.9766 8.2502 116.7994 58.7879 28.7384 178.5564 44 A 4.1313 7.9503 121.8065 55.0070 18.2343 179.5824 45 A 4.0497 8.3029 120.7750 55.2963 18.6299 179.1464 46 E 4.1858 8.3040 113.6010 58.1831 29.5948 177.3469 47 E 4.4195 7.6612 117.2716 56.4671 30.0004 176.3331 48 M 4.3872 7.4390 119.0418 53.7755 32.8493 174.4467 49 P 4.3796 0.0000 0.0000 63.0206 32.2287 176.8156 50 Q 4.0845 8.6718 121.6977 59.5208 29.2749 177.1824 51 T 3.9229 7.6951 113.4339 63.7485 68.9426 174.2193 52 T 4.2366 8.3851 123.0512 62.6112 68.2182 174.0175 53 L 4.5112 8.3613 127.2054 53.6836 43.8358 178.1784 54 G 3.6234 8.5341 112.5184 46.0951 0.0000 172.8675 55 C 4.7419 8.0842 119.2628 54.0433 42.2966 172.3749 56 P 4.9288 0.0000 0.0000 62.2482 31.8696 175.8837 57 A 4.6204 8.6810 122.8169 53.5545 19.0637 176.7101 58 T 4.7068 9.1454 113.4237 60.8665 71.6441 172.0361 59 W 5.4566 8.9991 135.0000 55.9054 31.9584 175.0140 60 D 4.4980 8.2216 126.5600 52.9911 39.3782 177.0435 61 G 3.7709 5.9346 108.1379 45.2630 0.0000 174.4439 62 L 4.3205 7.6216 117.2355 55.1542 44.1549 176.7995 63 L 4.5736 7.0548 116.4554 52.6275 44.6873 175.9344 64 C 5.0157 8.6322 122.1364 55.5385 45.3175 172.7765 65 W 4.5932 9.4002 128.5866 55.0350 29.8265 175.0446 66 P 5.0548 0.0000 0.0000 62.3758 32.0558 176.1160 67 T 4.5953 8.6630 110.5635 62.2095 69.3160 173.3727 68 A 4.8046 8.7706 124.9968 50.0399 23.3683 175.7268 69 G 3.9962 8.7510 106.4071 45.3772 0.0000 173.6024 70 S 4.3584 8.4860 117.2896 59.9560 63.2502 175.2513 71 G 3.9282 8.8748 112.0463 45.9299 0.0000 172.9812 72 E 4.8200 7.8163 118.9739 54.2315 32.3893 174.8155 73 W 5.6332 8.0912 117.2920 54.8480 31.9830 174.4797 74 V 4.6612 9.2149 120.1510 61.5409 34.1112 174.1551 75 T 5.4835 8.8701 123.6882 61.9440 70.6848 173.4996 76 L 4.9225 9.1415 126.2098 51.8666 45.3329 174.5240 77 P 5.0374 0.0000 0.0000 62.0014 32.3363 176.6127 78 C 4.2881 8.3979 118.0974 56.3861 39.8076 172.4091 79 P 4.2650 0.0000 0.0000 62.2265 31.7824 177.1053 80 D 4.3120 8.6579 119.1754 56.5561 39.2634 178.9394 81 F 4.1706 7.9576 114.4918 59.4134 38.0620 176.8664 82 F 4.3223 7.4156 123.3371 61.0751 38.7318 176.9289 83 S 4.3388 7.9792 113.4055 61.4848 62.5040 175.9027 84 H 4.2389 7.9696 119.5916 57.9782 28.5711 176.6993 85 F 4.8058 7.6561 118.2342 57.7694 39.6365 175.7935 86 S 4.3672 6.8332 112.2600 58.1679 64.7091 174.6575 87 S 4.5876 8.5858 122.2525 58.2034 62.0766 173.4759 88 E 4.7193 7.5763 119.9934 55.9807 30.9232 176.9966 89 S 4.1413 8.7341 117.5935 59.6074 63.1612 175.8411 90 G 4.0599 8.5646 110.1873 44.8659 0.0000 171.6398 91 A 4.8844 7.8737 118.4791 50.7235 22.2962 176.0883 92 V 4.5292 9.1449 122.1410 60.9569 35.0753 174.0245 93 K 5.4209 9.4996 129.1293 54.8909 34.9104 174.8984 94 R 4.7733 8.7789 124.5253 54.3994 34.0939 174.0070 95 D 5.3734 9.1788 121.9194 52.9755 43.5617 174.7764 96 C 4.6095 9.3170 124.5634 55.6687 41.4772 172.4840 97 T 5.0936 8.4538 117.0922 59.4269 71.2938 175.5678 98 I 3.9432 8.4862 115.4532 63.2511 37.7773 176.7288 99 T 4.2764 7.3574 110.1576 61.3540 68.9642 173.1147 100 G 3.6534 7.9880 108.8927 43.9534 0.0000 173.0113 101 W 4.9936 8.4650 118.7930 56.5654 29.8169 177.1748 102 S 4.5750 8.7930 119.4374 57.6183 64.1954 173.3789 103 E 4.2587 8.4625 119.0085 55.1397 30.2675 175.4471 104 P 4.3404 0.0000 0.0000 62.8693 32.2593 175.8220 105 F 4.7642 9.0531 125.6120 55.5378 42.9617 172.4778 106 P 3.4928 0.0000 0.0000 61.0017 32.4665 174.0718 107 P 4.1315 0.0000 0.0000 62.8030 31.9781 177.1756 108 Y 4.2450 8.5846 119.7419 61.3366 37.5731 177.7546 109 P 4.3587 0.0000 0.0000 64.7790 31.5157 178.6548 110 V 3.7310 7.5822 116.1750 65.7413 31.7975 177.3614 111 A 4.0765 7.8972 119.2785 54.2408 19.5938 177.2071 112 C 4.2868 8.4402 112.4493 54.6058 40.7347 172.4487 113 P 4.7292 0.0000 0.0000 62.7014 32.3530 177.0130 114 V 3.9732 7.9127 113.2755 58.5151 34.0526 174.1094 115 P 4.1568 0.0000 0.0000 63.2428 31.8508 177.7330 116 L 4.0511 8.4013 121.2142 57.5356 41.5677 179.5114 117 E 3.9525 8.1508 118.5516 59.4913 29.1682 179.0962 118 L 4.0521 7.5768 117.4350 56.9695 41.5965 178.5203 119 L 4.3982 7.3967 115.9755 53.7625 42.5707 176.5688 120 A 3.7596 7.6036 120.6111 53.2310 16.6546 177.5084 121 E 4.2148 7.9594 127.4054 57.5423 29.6203 176.8695 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 M 8.16 4.28 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 *34 L 8.34 4.45 0.00 1.92 1.80 1.28 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.04 4.00 0.00 1.86 1.93 0.00 3.29 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 36 E 8.03 4.23 0.00 1.97 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 2.31 1.96 0.00 37 D 7.83 4.35 0.00 2.89 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 38 E 7.61 2.00 0.00 1.48 1.73 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 1.91 1.47 0.00 39 S 7.65 3.87 0.00 3.82 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 40 A 7.70 3.94 1.28 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 0.00 0.00 0.00 41 C 7.99 4.13 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 42 L 7.88 3.94 0.00 1.77 1.67 0.83 1.38 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 43 Q 8.25 3.98 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 44 A 7.95 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 4.05 1.46 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 46 E 8.30 4.19 0.00 1.98 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 2.36 2.44 0.00 47 E 7.66 4.42 0.00 2.12 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 2.29 2.42 0.00 48 M 7.44 4.39 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.56 0.00 49 P 0.00 4.38 0.00 2.05 2.02 0.00 3.70 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 2.05 2.11 0.00 50 Q 8.67 4.08 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.34 1.95 0.00 51 T 7.70 3.92 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 52 T 8.39 4.24 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 1.21 0.00 0.00 53 L 8.36 4.51 0.00 1.60 1.56 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.53 3.62 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 0.00 0.00 0.00 55 C 8.08 4.74 0.00 1.23 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 56 P 0.00 4.93 0.00 2.21 2.13 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 57 A 8.68 4.62 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 9.15 4.71 4.47 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 1.14 0.00 0.00 59 W 9.00 5.46 0.00 3.43 3.05 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 60 D 8.22 4.50 0.00 2.81 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 61 G 5.93 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 0.00 0.00 0.00 62 L 7.62 4.32 0.00 0.87 1.30 -0.18 0.87 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 63 L 7.05 4.57 0.00 1.34 0.70 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.63 5.02 0.00 3.20 3.06 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 65 W 9.40 4.59 0.00 3.13 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 66 P 0.00 5.05 0.00 2.23 2.17 0.00 3.94 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.06 0.00 67 T 8.66 4.60 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 1.34 0.00 0.00 68 A 8.77 4.80 1.22 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 0.00 0.00 69 G 8.75 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 0.00 0.00 0.00 70 S 8.49 4.36 0.00 3.82 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 71 G 8.87 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 0.00 0.00 0.00 72 E 7.82 4.82 0.00 2.07 1.76 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 2.13 2.17 0.00 73 W 8.09 5.63 0.00 3.60 3.26 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 74 V 9.21 4.66 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 1.25 0.00 0.00 1.32 0.00 0.00 75 T 8.87 5.48 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 76 L 9.14 4.92 0.00 1.02 1.19 -0.20 0.72 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 77 P 0.00 5.04 0.00 2.02 2.04 0.00 3.27 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 78 C 8.40 4.29 0.00 2.74 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 79 P 0.00 4.27 0.00 1.18 1.88 0.00 3.20 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 2.02 1.93 0.00 80 D 8.66 4.31 0.00 2.88 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 81 F 7.96 4.17 0.00 3.13 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.42 4.32 0.00 2.81 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 83 S 7.98 4.34 0.00 3.92 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 84 H 7.97 4.24 0.00 2.58 3.27 0.00 5.64 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 7.66 4.81 0.00 2.66 2.86 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 86 S 6.83 4.37 0.00 3.39 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 87 S 8.59 4.59 0.00 3.67 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 88 E 7.58 4.72 0.00 2.18 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 0.00 2.36 2.33 0.00 89 S 8.73 4.14 0.00 3.93 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 90 G 8.56 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 0.00 0.00 0.00 91 A 7.87 4.88 1.23 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 0.00 0.00 0.00 92 V 9.14 4.53 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 0.61 0.00 0.00 0.96 0.00 0.00 93 K 9.50 5.42 0.00 1.96 1.88 0.00 1.07 0.00 0.00 1.50 0.00 0.00 2.51 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.65 7.81 94 R 8.78 4.77 0.00 0.82 1.43 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 95 D 9.18 5.37 0.00 2.58 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 96 C 9.32 4.61 0.00 2.12 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 97 T 8.45 5.09 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 1.25 0.00 0.00 98 I 8.49 3.94 1.84 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 1.44 0.57 0.88 0.00 0.00 99 T 7.36 4.28 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 1.19 0.00 0.00 100 G 7.99 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 0.00 101 W 8.47 4.99 0.00 3.09 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.79 4.58 0.00 3.84 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 0.00 103 E 8.46 4.26 0.00 1.85 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 2.27 0.00 104 P 0.00 4.34 0.00 1.48 1.67 0.00 3.51 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 105 F 9.05 4.76 0.00 3.01 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 0.00 106 P 0.00 3.49 0.00 1.67 1.16 0.00 3.62 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 107 P 0.00 4.13 0.00 2.11 1.97 0.00 3.37 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 108 Y 8.58 4.25 0.00 3.04 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 0.00 109 P 0.00 4.36 0.00 2.02 2.13 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 110 V 7.58 3.73 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 0.73 0.00 0.00 0.86 0.00 0.00 111 A 7.90 4.08 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 0.00 112 C 8.44 4.29 0.00 2.95 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 0.00 113 P 0.00 4.73 0.00 2.25 2.23 0.00 3.92 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 114 V 7.91 3.97 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 0.82 0.00 0.00 0.82 0.00 0.00 115 P 0.00 4.16 0.00 1.97 1.93 0.00 2.52 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 116 L 8.40 4.05 0.00 1.65 1.68 0.90 0.93 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 0.00 117 E 8.15 3.95 0.00 2.01 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 2.39 2.45 0.00 118 L 7.58 4.05 0.00 1.72 1.65 0.78 0.91 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 0.00 119 L 7.40 4.40 0.00 1.57 1.64 0.89 0.80 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 0.00 120 A 7.60 3.76 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 0.00 121 E 7.96 4.21 0.00 2.22 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 2.29 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.