NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 N 4.6766 8.4249 119.2064 53.4895 40.2965 173.2561 26 Q 4.7884 8.4110 124.3693 54.0391 31.6833 169.6864 27 V 4.8619 9.3628 115.3634 59.6279 36.7402 174.3962 28 R 4.9264 9.0335 124.6942 54.2803 31.3569 173.6258 29 P 4.9400 0.0000 0.0000 62.0998 32.0809 176.9225 30 K 4.0872 9.0689 124.3446 56.2561 33.0784 177.7232 31 L 3.8675 8.8776 124.0616 58.3191 41.2876 177.7520 32 P 4.2076 0.0000 0.0000 65.5108 31.2453 178.4039 33 L 3.8652 7.7393 118.6007 57.9429 42.1177 178.2784 34 L 3.7589 8.1673 120.7179 58.2653 41.9188 179.1935 35 K 4.0064 8.3823 118.6435 59.4136 32.0364 179.4075 36 I 3.5419 7.1936 119.0072 64.2127 36.9706 178.5170 37 L 3.8272 7.8561 119.8774 58.0893 41.3999 179.2724 38 H 4.3652 8.4687 116.3355 58.8722 28.3863 177.6629 39 A 4.0649 7.9875 121.4630 55.0844 18.3254 179.0484 40 A 4.3268 7.7032 117.0136 53.1124 18.6372 178.2885 41 G 4.0360 7.9023 104.8202 44.7842 0.0000 174.1641 42 A 3.3681 7.2877 122.8065 51.8572 18.7122 177.2579 43 Q 4.4949 8.6764 120.8507 55.3178 30.7095 174.7092 44 G 3.6605 8.8466 108.4613 44.5518 0.0000 172.1684 45 E 4.7197 8.3358 115.5717 56.0092 31.3789 176.0308 46 M 5.0644 7.0176 115.1192 53.5661 34.4337 174.3813 47 F 5.1586 8.9740 118.8775 56.3298 44.7118 173.7525 48 T 4.7163 9.1355 110.6420 61.0509 70.2855 176.3216 49 V 3.6688 8.5029 121.2681 66.1955 31.4088 178.2746 50 K 4.0530 8.0490 117.8125 59.3571 31.9380 178.9537 51 E 3.9722 8.4351 118.9923 59.3508 29.4393 179.4473 52 V 3.5417 7.9556 118.1698 66.4816 31.5265 178.0897 53 M 4.1026 8.2237 118.3161 58.3810 31.7642 177.9747 54 H 3.9691 8.4043 118.6961 59.8242 29.8930 176.9284 55 Y 4.1299 7.8796 118.1898 60.6620 37.5454 178.0960 56 L 4.0827 8.2170 121.6519 58.1775 42.2299 179.2448 57 G 3.6366 8.2870 105.6920 48.0131 0.0000 175.5253 58 Q 4.0219 8.0154 120.6409 58.7166 28.8200 178.3488 59 Y 4.0431 8.3838 120.7794 60.8898 38.8700 178.1750 60 I 3.8453 8.1992 120.8104 64.6545 37.2408 178.0648 61 M 4.1491 8.1703 118.8391 58.8857 31.9673 178.5154 62 V 3.6235 7.7449 117.6355 65.8299 31.8032 177.0236 63 K 4.0335 7.7872 116.1083 56.3516 32.3035 176.4663 64 Q 3.2235 7.7132 117.3866 56.9981 26.6319 174.2159 65 L 4.4419 8.1884 116.5647 55.9638 43.1097 178.0249 66 Y 5.0240 7.6728 117.1755 55.8490 40.3912 174.4956 67 D 4.5243 8.7793 120.3306 53.1019 41.5689 176.9469 68 Q 4.1947 8.8416 128.0837 58.9724 29.2280 177.0867 69 Q 4.3923 8.7333 115.4432 57.0149 29.5443 176.3539 70 E 4.7201 8.3111 117.7404 55.0339 31.0346 175.5933 71 Q 4.3546 8.2300 120.7893 58.2254 29.5045 176.8937 72 H 4.5264 8.0066 112.5582 56.6422 30.2490 174.5387 73 M 4.4763 8.1112 121.2488 54.3500 33.5212 175.0824 74 V 4.5613 7.9724 124.6425 61.3779 33.8923 174.0841 75 Y 4.9964 9.5137 127.1489 56.4338 38.4127 174.9397 76 C 4.7577 8.8333 117.6244 57.4745 30.0164 176.3613 77 G 3.8442 8.0585 108.4612 49.5959 0.0000 174.6390 78 G 3.9062 7.9280 107.5855 44.7329 0.0000 172.7465 79 D 4.8678 7.7854 120.1374 52.5388 42.6555 177.2085 80 L 4.0733 8.5937 123.7029 57.8921 41.4750 179.6563 81 L 4.0275 9.0309 121.0676 58.0353 42.0736 179.1705 82 G 3.7358 8.1790 105.7280 47.8049 0.0000 175.5558 83 E 4.0202 7.6916 120.1662 59.1898 29.5319 179.0716 84 L 4.1064 7.7065 117.6888 57.8137 41.7373 179.1196 85 L 4.0780 8.1398 118.3780 55.0865 41.2244 178.2245 86 G 4.0601 7.6805 105.9159 46.2191 0.0000 173.0025 87 R 4.7452 7.3150 117.2576 54.3859 34.4005 174.9894 88 Q 4.5603 8.4551 115.8603 56.9624 30.7283 175.4762 89 S 5.7927 7.2932 109.8134 57.2707 66.0805 173.4839 90 F 4.7509 7.5304 117.3812 56.9913 39.5031 172.3235 91 S 4.9005 7.7952 114.5109 56.7854 63.6520 175.0457 92 V 3.8691 8.5056 126.5268 64.6073 31.5180 177.2286 93 K 3.9979 8.1666 118.9171 58.7876 32.0197 176.4544 94 D 4.7754 7.4716 118.8310 50.8928 40.1420 175.2223 95 P 3.9948 0.0000 0.0000 65.2286 31.1350 178.7080 96 S 3.9737 7.6485 113.4947 61.4742 62.8928 175.0715 97 P 4.1724 0.0000 0.0000 65.2125 30.9954 178.9553 98 L 3.8936 7.5897 117.5335 58.0056 41.6669 178.5691 99 Y 4.4596 7.9845 117.0678 61.3391 37.8763 178.3593 100 D 4.3310 8.2529 118.6143 57.7056 41.4073 178.0159 101 M 3.9729 7.7998 117.9435 58.6153 32.2043 178.0433 102 L 3.9707 8.2916 119.4492 57.9158 41.6211 179.4186 103 R 3.8776 8.1561 117.6136 59.3325 30.1085 178.0986 104 K 4.2768 7.8730 115.6802 57.4902 32.6108 176.9159 105 N 5.0052 8.0492 114.6848 52.5000 41.0466 173.6843 106 L 4.8798 8.1151 119.7632 52.8806 43.8380 176.0225 107 V 4.2920 8.6032 124.5339 61.1819 33.2926 175.0136 108 T 4.3293 8.6038 125.4281 63.7259 69.0744 173.7653 109 L 4.5554 8.2401 125.6676 52.9067 43.5796 176.6932 *110 A 4.0850 8.4838 124.9645 52.4984 18.8652 176.2319 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 25 N 8.42 4.68 0.00 2.70 2.82 0.00 0.00 6.92 6.19 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 26 Q 8.41 4.79 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 27 V 9.36 4.86 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 0.81 0.00 0.00 1.10 0.00 0.00 28 R 9.03 4.93 0.00 1.84 1.82 0.00 3.10 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 29 P 0.00 4.94 0.00 1.98 1.95 0.00 4.01 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 30 K 9.07 4.09 0.00 1.68 1.72 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 31 L 8.88 3.87 0.00 1.74 1.69 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.21 0.00 2.16 2.06 0.00 3.65 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 2.09 2.13 0.00 33 L 7.74 3.87 0.00 1.69 1.75 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.17 3.76 0.00 1.99 1.78 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.38 4.01 0.00 1.94 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.62 7.81 36 I 7.19 3.54 1.75 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 -0.07 0.00 0.00 37 L 7.86 3.83 0.00 1.45 1.17 0.51 0.92 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 38 H 8.47 4.37 0.00 3.11 3.31 0.00 5.64 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 39 A 7.99 4.06 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.70 4.33 1.60 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 0.00 0.00 41 G 7.90 4.04 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 0.00 0.00 0.00 42 A 7.29 3.37 0.39 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 0.00 0.00 0.00 43 Q 8.68 4.49 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 44 G 8.85 3.66 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 0.00 45 E 8.34 4.72 0.00 1.88 1.97 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 2.19 2.19 0.00 46 M 7.02 5.06 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 47 F 8.97 5.16 0.00 3.08 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 48 T 9.14 4.72 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 1.32 0.00 0.00 49 V 8.50 3.67 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 1.10 0.00 0.00 0.96 0.00 0.00 50 K 8.05 4.05 0.00 1.87 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.55 7.81 51 E 8.44 3.97 0.00 2.50 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 0.00 2.45 2.42 0.00 52 V 7.96 3.54 2.28 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 1.01 0.00 0.00 0.97 0.00 0.00 53 M 8.22 4.10 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.89 0.00 54 H 8.40 3.97 0.00 3.13 3.34 0.00 5.78 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 55 Y 7.88 4.13 0.00 2.99 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 56 L 8.22 4.08 0.00 1.89 1.89 0.89 0.86 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 57 G 8.29 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 58 Q 8.02 4.02 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 59 Y 8.38 4.04 0.00 3.19 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 60 I 8.20 3.85 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.78 1.05 0.00 0.00 61 M 8.17 4.15 0.00 2.22 1.99 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 2.55 2.58 0.00 62 V 7.74 3.62 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 0.80 0.00 0.00 1.00 0.00 0.00 63 K 7.79 4.03 0.00 1.65 1.64 0.00 1.04 0.00 0.00 0.87 0.00 0.00 2.84 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.22 0.97 7.81 64 Q 7.71 3.22 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 65 L 8.19 4.44 0.00 1.73 1.80 1.08 0.73 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 66 Y 7.67 5.02 0.00 3.12 2.95 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 67 D 8.78 4.52 0.00 2.99 2.88 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 68 Q 8.84 4.19 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 69 Q 8.73 4.39 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 70 E 8.31 4.72 0.00 1.98 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 2.23 2.29 0.00 71 Q 8.23 4.35 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 72 H 8.01 4.53 0.00 3.20 3.51 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 M 8.11 4.48 0.00 1.83 2.23 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 74 V 7.97 4.56 1.18 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 1.05 0.00 0.00 0.71 0.00 0.00 75 Y 9.51 5.00 0.00 2.78 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 76 C 8.83 4.76 0.00 3.33 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 77 G 8.06 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 78 G 7.93 3.91 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 0.00 0.00 0.00 79 D 7.79 4.87 0.00 2.88 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 80 L 8.59 4.07 0.00 1.80 1.74 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 81 L 9.03 4.03 0.00 1.88 1.88 0.85 1.16 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 82 G 8.18 3.74 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 0.00 0.00 0.00 83 E 7.69 4.02 0.00 2.07 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 2.35 2.36 0.00 84 L 7.71 4.11 0.00 1.70 1.67 0.88 0.96 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 85 L 8.14 4.08 0.00 1.75 1.46 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.68 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 87 R 7.31 4.75 0.00 1.74 1.79 0.00 2.87 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 88 Q 8.46 4.56 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.61 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 89 S 7.29 5.79 0.00 3.12 3.60 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 90 F 7.53 4.75 0.00 3.25 3.15 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 91 S 7.80 4.90 0.00 3.94 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 92 V 8.51 3.87 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 0.81 0.00 0.00 0.85 0.00 0.00 93 K 8.17 4.00 0.00 1.72 1.80 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.36 1.17 7.81 94 D 7.47 4.78 0.00 2.68 2.66 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 95 P 0.00 3.99 0.00 1.13 1.19 0.00 3.51 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 96 S 7.65 3.97 0.00 3.81 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 97 P 0.00 4.17 0.00 1.74 1.79 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 98 L 7.59 3.89 0.00 1.67 1.71 0.99 0.95 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 99 Y 7.98 4.46 0.00 3.12 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 0.00 100 D 8.25 4.33 0.00 2.96 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 0.00 101 M 7.80 3.97 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.69 0.00 102 L 8.29 3.97 0.00 1.94 1.74 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.16 3.88 0.00 1.85 2.14 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 104 K 7.87 4.28 0.00 1.78 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.54 7.81 105 N 8.05 5.01 0.00 2.75 2.76 0.00 0.00 6.71 6.67 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 0.00 106 L 8.12 4.88 0.00 1.60 1.60 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.60 4.29 2.17 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 0.83 0.00 0.00 0.94 0.00 0.00 108 T 8.60 4.33 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 1.25 0.00 0.00 109 L 8.24 4.56 0.00 1.55 1.57 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *110 A 8.48 4.08 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 * Residues marked with a * may have inaccurate shift predictions.