NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 A 4.4392 8.2493 123.5852 51.4310 20.6023 176.2196 36 F 5.2169 7.6887 110.7586 55.0052 41.1454 172.4635 37 T 4.6891 9.9276 119.5230 61.9959 71.6399 174.4002 38 I 5.1261 8.3657 126.0465 59.7006 40.0822 174.2344 39 L 4.7177 9.3039 127.4154 52.9966 43.9701 175.0457 40 D 3.6860 8.5257 124.3938 52.8142 41.4242 175.9638 41 V 3.8589 8.2320 126.4174 63.5789 32.5749 176.0330 42 R 4.6342 7.9637 118.9498 55.7119 31.5158 175.7397 43 D 4.3809 8.6098 119.0039 54.6104 41.7841 177.0906 44 R 4.0108 8.6219 124.5728 59.5846 29.7470 179.0579 45 S 4.0881 7.9600 113.8189 62.0357 63.1708 176.3727 46 T 4.0799 7.7809 117.8596 66.6052 68.2870 176.0798 47 Y 4.0781 8.5843 122.0089 60.9048 38.8038 178.0528 48 N 4.5048 8.6211 117.3847 56.0814 38.4026 176.3947 49 D 4.7858 7.6036 117.9353 53.9930 41.2018 174.4521 50 G 3.3892 5.8970 107.1924 44.1127 0.0000 172.6111 51 H 5.0977 8.3936 120.8990 53.5864 33.3867 177.4768 52 I 4.1186 8.1997 121.8014 61.6607 35.9954 180.3022 *54 G 3.9606 8.9653 120.3593 45.8610 0.0000 174.9210 55 A 4.8581 7.9621 126.0980 51.1789 17.8197 176.9126 *57 A 3.5951 8.2678 119.7756 52.3600 19.7299 174.7853 *59 P 4.3867 0.0000 0.0000 62.0009 32.5365 177.8212 60 I 3.6102 7.8126 123.4140 64.8722 36.9370 178.4570 61 E 4.1296 8.1636 116.1960 58.9037 29.5406 177.7784 62 D 4.7056 7.4414 114.9351 54.3612 41.8184 177.8099 63 L 3.6538 7.8398 121.2327 58.5089 41.9636 178.8133 64 V 3.5242 7.6721 116.9179 66.3528 31.4134 177.9132 65 D 4.3633 7.9636 116.3738 57.3595 41.0080 178.6729 66 R 4.0327 8.3310 118.6168 59.2645 30.1672 179.0177 67 A 4.0855 8.3419 122.2115 54.7369 18.1724 179.7001 68 S 4.5874 8.3749 112.2666 60.6342 62.8352 175.3107 69 S 4.8678 7.5369 116.9658 57.6856 63.1492 174.9241 70 S 4.7256 8.2843 112.4458 58.6965 67.3699 173.7995 71 L 4.8652 7.6977 120.5571 52.8440 45.2829 175.8049 72 E 4.2404 8.5950 120.2521 55.8984 30.6951 177.1817 73 K 3.8013 8.2788 116.6292 56.7155 31.7102 178.4288 74 S 4.8621 7.7004 111.9290 57.6892 64.2144 174.3152 75 R 3.9769 7.6520 122.3453 56.3143 30.4738 175.6012 76 D 4.5672 8.8531 124.4021 54.9813 41.6658 174.7534 77 I 5.0568 8.4819 125.2887 59.6534 39.9675 174.6653 78 Y 4.9979 9.0973 123.6090 56.1922 41.2591 174.6868 79 V 5.0545 8.7699 124.2507 61.3442 34.8471 173.9518 80 Y 5.1207 8.5944 123.8645 55.8916 41.4574 174.4895 81 G 4.3903 8.7818 111.7973 43.9640 0.0000 172.6418 82 A 4.2404 9.3202 122.0689 49.7065 17.0968 177.7669 83 G 4.0342 8.2692 108.0499 44.5248 0.0000 172.0069 84 D 4.2996 8.7232 117.7314 57.0753 41.1292 177.7780 85 E 3.8975 8.1667 119.3310 59.5440 29.8064 178.4991 86 Q 3.9395 8.0090 118.8593 59.4377 29.2330 178.0910 87 T 3.8774 7.9173 116.7776 66.8024 68.5138 176.8798 88 S 4.1094 8.4076 117.3872 61.5808 62.9038 176.3053 89 Q 3.9447 8.2949 122.1527 59.2651 28.6644 178.5967 90 A 3.9446 7.9224 121.3708 55.0100 18.4598 179.7032 91 V 3.4903 7.6804 116.7251 66.3328 31.4931 178.0816 92 N 4.3929 8.3191 116.1632 55.9854 38.3040 177.4666 93 L 3.9618 7.6536 120.0108 57.9530 41.7279 179.5349 94 L 4.0083 7.8275 118.7870 57.9398 41.5173 179.9198 95 R 4.1943 8.0896 118.0830 59.0912 29.8277 178.7843 96 S 4.2486 8.3324 112.0068 60.2297 62.4927 174.8933 97 A 4.5367 7.8262 121.5734 51.9529 18.8230 177.6140 98 G 3.8240 7.8792 105.7770 45.3941 0.0000 173.5579 99 F 4.2126 8.3842 119.0330 56.4435 39.5254 175.9953 100 E 4.0908 9.2031 126.5760 59.1281 29.7722 176.9323 101 H 4.8422 7.9850 115.5656 53.3131 29.5585 170.8742 102 V 4.6316 7.9048 119.2899 61.0762 33.5245 174.4173 103 S 4.9435 8.8537 123.5011 56.5077 67.1102 172.3670 104 E 5.1708 8.6086 117.6211 54.7808 32.6138 176.1118 105 L 4.5604 8.9541 122.5545 53.1032 42.6205 176.2652 106 K 4.1967 8.5677 124.5102 58.6149 32.2112 177.8566 107 G 4.0164 9.0836 113.2239 43.9507 0.0000 174.1527 108 G 3.7765 8.1761 109.2581 46.1204 0.0000 175.4574 109 L 3.7491 8.8003 119.6998 58.3048 42.0640 179.0073 110 A 3.9971 8.1044 119.7851 55.2919 18.0441 179.3354 111 A 3.9953 7.9631 118.9170 54.8417 18.4159 179.7225 112 W 4.0941 8.1545 126.6845 60.6906 30.8426 178.5204 113 K 4.0090 8.5666 118.2927 59.1338 31.2153 179.2233 114 A 4.0954 7.8396 120.8142 54.0571 18.2325 178.6015 115 I 4.2172 7.0242 108.2524 60.5124 38.0068 176.6128 116 G 3.7603 7.7541 107.6602 45.6141 0.0000 174.5617 117 G 2.6672 7.1232 108.3780 44.1980 0.0000 172.2167 118 P 4.6046 0.0000 0.0000 62.6008 32.3109 175.5529 119 T 5.0043 8.1644 109.3136 60.3056 72.2696 172.5844 120 E 4.7687 9.0290 121.3624 54.5330 33.6370 174.8107 121 L 4.9130 8.4561 121.7365 53.0945 44.5586 175.8369 122 E 4.7214 8.5503 122.0881 54.6744 32.2064 175.2492 123 H 4.3532 8.7534 121.5061 56.3228 30.3452 173.9697 124 H 4.6341 8.0309 120.5358 55.4623 30.8927 171.7028 125 H 4.9978 8.2674 116.1483 54.6943 31.4750 172.8966 126 H 4.7845 7.9749 116.0734 55.7483 32.5188 173.0862 127 H 5.0393 8.4688 118.6367 55.5912 29.8039 174.2485 *128 H 4.3978 8.1943 120.8862 55.1180 28.6133 175.5213 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 35 A 8.25 4.44 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 5.22 0.00 3.20 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 37 T 9.93 4.69 4.36 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 1.25 0.00 0.00 38 I 8.37 5.13 1.90 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 1.58 1.52 1.10 0.00 0.00 39 L 9.30 4.72 0.00 1.47 1.47 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.53 3.69 0.00 2.61 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 41 V 8.23 3.86 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 0.82 0.00 0.00 42 R 7.96 4.63 0.00 1.82 1.87 0.00 3.29 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.53 0.00 43 D 8.61 4.38 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.62 4.01 0.00 1.88 1.88 0.00 3.15 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 45 S 7.96 4.09 0.00 3.89 3.92 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 46 T 7.78 4.08 4.40 0.00 0.00 0.00 0.00 0.00 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 47 Y 8.58 4.08 0.00 2.96 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 48 N 8.62 4.50 0.00 2.86 2.68 0.00 0.00 7.06 7.89 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 49 D 7.60 4.79 0.00 2.81 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 50 G 5.90 3.39 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 0.00 51 H 8.39 5.10 0.00 3.25 3.01 0.00 5.47 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.20 4.12 1.47 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 -0.06 -0.25 0.00 0.00 *54 G 8.97 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 55 A 7.96 4.86 1.39 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 *57 A 8.27 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *59 P 0.00 4.39 0.00 2.12 1.94 0.00 3.51 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.18 0.00 60 I 7.81 3.61 1.83 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 1.52 1.07 0.88 0.00 0.00 61 E 8.16 4.13 0.00 2.09 2.06 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 2.24 2.36 0.00 62 D 7.44 4.71 0.00 2.60 2.67 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 0.00 0.00 0.00 0.00 63 L 7.84 3.65 0.00 1.77 1.68 0.78 0.90 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 64 V 7.67 3.52 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 0.92 0.00 0.00 65 D 7.96 4.36 0.00 2.67 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 66 R 8.33 4.03 0.00 1.99 1.93 0.00 3.05 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 67 A 8.34 4.09 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 68 S 8.37 4.59 0.00 4.26 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 69 S 7.54 4.87 0.00 3.82 3.82 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 70 S 8.28 4.73 0.00 4.00 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 71 L 7.70 4.87 0.00 1.89 1.72 0.92 0.98 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 72 E 8.60 4.24 0.00 2.08 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 2.46 2.28 0.00 73 K 8.28 3.80 0.00 1.60 1.60 0.00 1.32 0.00 0.00 1.45 0.00 0.00 2.26 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.55 1.06 7.81 74 S 7.70 4.86 0.00 3.97 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 75 R 7.65 3.98 0.00 2.22 2.20 0.00 3.39 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 76 D 8.85 4.57 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 77 I 8.48 5.06 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.81 0.00 0.00 78 Y 9.10 5.00 0.00 3.01 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 79 V 8.77 5.05 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 1.02 0.00 0.00 0.87 0.00 0.00 80 Y 8.59 5.12 0.00 3.08 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 81 G 8.78 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 0.00 0.00 0.00 0.00 82 A 9.32 4.24 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 83 G 8.27 4.03 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 0.00 0.00 0.00 84 D 8.72 4.30 0.00 2.82 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 85 E 8.17 3.90 0.00 2.08 1.94 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 2.38 2.38 0.00 86 Q 8.01 3.94 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 87 T 7.92 3.88 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 1.33 0.00 0.00 88 S 8.41 4.11 0.00 3.88 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 89 Q 8.29 3.94 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 90 A 7.92 3.94 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 91 V 7.68 3.49 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 0.99 0.00 0.00 0.97 0.00 0.00 92 N 8.32 4.39 0.00 2.96 2.84 0.00 0.00 7.05 6.29 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 93 L 7.65 3.96 0.00 1.88 1.67 0.96 0.72 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 94 L 7.83 4.01 0.00 1.73 1.44 0.64 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.09 4.19 0.00 1.88 1.98 0.00 3.11 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 96 S 8.33 4.25 0.00 3.97 4.03 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 97 A 7.83 4.54 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.88 3.82 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 0.00 0.00 0.00 99 F 8.38 4.21 0.00 3.07 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 0.00 100 E 9.20 4.09 0.00 2.00 1.82 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 2.30 2.34 0.00 101 H 7.99 4.84 0.00 3.09 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.90 4.63 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 0.70 0.00 0.00 0.93 0.00 0.00 103 S 8.85 4.94 0.00 3.19 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 0.00 104 E 8.61 5.17 0.00 1.96 1.90 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 2.19 2.34 0.00 105 L 8.95 4.56 0.00 1.88 1.74 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.57 4.20 0.00 1.79 1.81 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 107 G 9.08 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 0.00 108 G 8.18 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 0.00 109 L 8.80 3.75 0.00 1.81 1.73 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.10 4.00 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 0.00 111 A 7.96 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.15 4.09 0.00 3.42 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 0.00 113 K 8.57 4.01 0.00 1.87 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.75 7.81 114 A 7.84 4.10 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 0.00 115 I 7.02 4.22 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.29 0.83 0.00 0.00 116 G 7.75 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 0.00 0.00 0.00 117 G 7.12 2.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.60 0.00 2.30 2.12 0.00 3.85 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 2.36 2.11 0.00 119 T 8.16 5.00 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 1.41 0.00 0.00 120 E 9.03 4.77 0.00 1.61 1.66 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 2.19 2.23 0.00 121 L 8.46 4.91 0.00 1.45 1.55 0.89 0.94 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 0.00 122 E 8.55 4.72 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 2.60 0.00 123 H 8.75 4.35 0.00 3.13 3.27 0.00 5.97 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 0.00 124 H 8.03 4.63 0.00 3.20 3.20 0.00 5.53 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.27 5.00 0.00 3.05 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 H 7.97 4.78 0.00 3.06 3.11 0.00 5.65 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 0.00 127 H 8.47 5.04 0.00 3.07 3.25 0.00 5.91 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 H 8.19 4.40 0.00 2.88 2.75 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.