NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.5580 8.1927 116.7387 58.3151 65.8200 173.3990 22 S 4.4085 7.7992 111.5984 55.1483 65.2624 170.8782 23 P 4.4372 0.0000 0.0000 63.0762 32.6283 175.4722 24 S 4.5024 9.1541 120.1957 58.6609 63.6071 174.4197 25 E 3.7704 9.8894 126.1875 57.5337 26.8562 175.7656 26 G 4.0008 8.7647 103.1060 45.5824 0.0000 173.3820 27 L 5.1290 7.9284 118.3853 53.1794 46.6679 174.5086 28 C 5.3320 9.3447 119.0560 54.4172 41.9652 172.1015 29 P 2.9700 0.0000 0.0000 60.9772 32.1513 173.9739 30 P 4.2048 0.0000 0.0000 63.8136 31.8367 176.9166 31 G 3.9442 9.7934 109.9184 45.4485 0.0000 172.1806 32 H 5.3609 7.5793 114.1492 54.3197 33.5189 171.7648 33 H 5.2322 8.8648 114.9556 54.0690 31.9586 172.4427 34 I 4.9098 8.1741 119.2136 59.1889 40.2848 174.8604 35 S 4.6670 8.4590 120.3479 57.2258 64.2566 175.2889 36 E 3.9534 8.7843 118.8062 59.2224 29.4318 177.8148 37 D 4.4214 8.0545 116.9005 53.5721 40.0109 176.4412 38 G 3.8581 7.7142 107.9488 46.8943 0.0000 174.7280 39 R 4.4329 8.1251 119.7911 56.3947 31.8930 176.5361 40 D 5.1252 8.0094 116.2384 52.6003 45.0749 174.1455 41 C 5.2499 8.3582 119.9381 55.4903 43.4652 173.3296 42 I 4.7095 8.7362 124.3238 59.1186 39.8755 175.4088 43 S 4.4688 8.7146 121.9733 58.2371 63.7619 174.8358 44 C 4.6569 8.9094 120.0149 56.9798 35.4333 172.7932 45 K 4.5391 8.5595 121.2629 54.3130 33.3020 174.9728 46 Y 4.0534 8.6587 127.2959 59.3119 38.8042 175.8451 47 G 3.8051 8.5546 114.9712 46.1740 0.0000 172.8475 48 Q 4.6122 8.1332 121.0133 56.8334 31.6557 174.6924 49 D 5.4551 7.9182 114.9680 52.4650 43.0758 173.5860 50 Y 5.0995 8.5166 115.4268 56.0278 41.9347 173.7856 51 S 4.7328 9.0832 115.2558 57.0695 65.3959 174.8640 52 T 4.1230 8.8795 116.6568 63.7111 69.2095 174.4636 53 H 5.1244 7.7131 117.8889 53.3576 31.9134 174.4780 54 W 4.6639 8.8616 120.5135 57.1148 29.4399 175.4948 55 N 5.2676 9.5643 121.7641 51.0035 41.1691 173.5251 56 D 5.1287 8.3026 116.7710 52.9869 39.4199 176.2495 57 L 4.2223 8.7012 119.2540 55.3809 42.6856 178.8369 58 L 3.7813 8.0671 122.3416 57.2767 41.7526 177.1605 59 F 4.6244 6.7929 110.1874 55.0872 40.5364 174.3116 60 C 4.5082 8.6138 118.7996 57.1416 41.7836 173.3766 61 L 4.4359 8.0361 121.0080 53.7182 43.1651 176.2426 62 R 4.4384 8.4134 122.9524 56.1463 30.5162 176.7163 63 C 4.2452 8.5375 124.0993 58.0288 41.2145 173.9099 64 T 4.3448 8.3124 118.8768 62.6666 68.8679 174.7558 65 R 4.2711 8.4034 126.1817 55.3540 31.0646 177.2822 66 C 4.4337 8.5403 120.4069 56.9503 40.8482 173.3917 67 D 4.7215 8.5049 123.9626 53.1707 41.5667 176.9595 68 S 4.2176 8.6608 114.6854 61.0662 62.8988 175.1365 69 G 4.2028 7.7811 108.5128 45.5630 0.0000 172.8624 70 E 4.9520 7.9462 116.7983 54.6075 34.5556 176.1116 71 V 4.4198 9.1567 114.6086 59.1790 35.8024 174.6468 72 E 4.0294 8.9318 125.7617 56.8723 29.3547 176.2315 73 L 4.2052 8.8926 130.4678 57.8389 42.8036 177.2773 74 S 4.9276 7.8196 113.7373 55.7590 67.0847 171.9123 75 P 4.8427 0.0000 0.0000 62.6382 32.3284 176.2809 76 C 4.5230 8.5553 121.6491 56.8941 44.2215 172.9682 77 T 3.6825 8.0015 116.8457 60.3103 70.9052 173.3513 78 T 3.9604 8.5169 109.3807 65.2880 69.0903 175.8281 79 T 4.8803 7.3585 109.4709 60.5395 69.1716 174.2662 80 R 4.3227 7.3315 122.1371 55.5073 32.8653 173.5121 81 N 4.0346 7.9781 124.1429 52.7215 39.8908 174.3889 82 T 4.0232 8.1053 118.2049 62.2986 68.5843 173.2941 83 V 4.3028 8.3131 127.4304 61.6222 33.2094 173.8022 84 C 5.1913 8.7449 125.2029 55.6636 40.9517 173.1698 85 Q 4.5816 8.3446 122.5054 54.7541 32.3648 173.5633 86 C 4.9004 8.5754 123.2789 56.3841 37.1312 173.0374 87 E 4.2700 8.4857 121.0971 55.0086 30.2902 175.5771 88 E 3.8496 8.3717 123.8716 57.9027 30.2789 177.3684 89 G 4.0086 10.0384 112.8263 45.4348 0.0000 172.3168 90 T 5.6249 7.5993 108.3754 60.0380 72.5495 172.5696 91 F 5.2367 7.9103 115.0873 55.2704 41.6627 172.9580 92 R 4.6072 8.5150 115.7676 55.7030 34.4745 173.8731 93 E 4.7524 8.6586 116.7400 55.1089 32.8983 175.5693 94 E 3.8749 9.0628 119.3981 59.7058 29.2304 177.4203 95 D 4.7329 7.9858 114.7952 54.6412 41.6622 176.6781 96 S 4.6842 7.9412 113.6443 56.5354 62.6073 172.7010 97 P 4.4363 0.0000 0.0000 64.7870 32.3878 177.5929 98 E 4.1447 8.0528 119.8543 58.9828 29.8495 176.7286 99 M 4.5292 7.7049 117.7187 57.8779 32.4782 175.7235 100 C 3.9110 7.8361 109.6497 56.9321 34.6305 173.0030 101 R 4.6419 7.0508 120.7035 53.8243 33.6488 175.1540 102 K 4.2572 8.8328 124.1852 57.8034 32.9626 177.1633 103 C 5.3095 8.1277 122.1768 55.1603 42.8266 172.7824 *116 D 4.3317 8.4561 117.9277 54.9409 41.4217 176.2943 117 C 4.3925 8.5881 122.2303 56.0362 40.7903 173.2106 118 T 4.5296 7.8043 116.6677 59.3084 70.5751 174.2744 119 P 4.3166 0.0000 0.0000 64.1430 31.2006 177.8652 120 W 5.0723 7.5705 116.2268 56.4154 30.1648 175.4224 121 S 4.1345 7.5799 111.8358 57.0096 65.5212 173.8591 122 D 4.0494 7.3733 121.1533 52.8101 41.9227 176.3353 123 I 3.8162 8.0760 114.2894 61.2770 37.3161 175.8293 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 21 S 8.19 4.56 0.00 3.80 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 22 S 7.80 4.41 0.00 3.86 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.44 0.00 2.12 2.05 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 24 S 9.15 4.50 0.00 4.17 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 9.89 3.77 0.00 1.96 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 2.15 2.30 0.00 26 G 8.76 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 27 L 7.93 5.13 0.00 1.78 1.83 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 C 9.34 5.33 0.00 2.97 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 29 P 0.00 2.97 0.00 1.46 1.07 0.00 3.43 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 30 P 0.00 4.20 0.00 1.93 2.09 0.00 2.79 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 31 G 9.79 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 0.00 0.00 0.00 32 H 7.58 5.36 0.00 2.97 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.86 5.23 0.00 3.37 3.40 0.00 5.23 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.17 4.91 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 1.29 1.08 0.94 0.00 0.00 35 S 8.46 4.67 0.00 4.23 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 36 E 8.78 3.95 0.00 2.08 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 0.00 2.25 2.29 0.00 37 D 8.05 4.42 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.71 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 0.00 0.00 0.00 39 R 8.13 4.43 0.00 2.00 1.99 0.00 3.16 0.00 0.00 3.60 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 40 D 8.01 5.13 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 5.25 0.00 2.84 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 42 I 8.74 4.71 1.50 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 1.27 0.80 0.88 0.00 0.00 43 S 8.71 4.47 0.00 3.64 3.80 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 0.00 0.00 0.00 44 C 8.91 4.66 0.00 2.80 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.54 0.00 1.83 1.67 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.40 7.81 46 Y 8.66 4.05 0.00 3.00 2.84 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 47 G 8.55 3.81 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 0.00 0.00 0.00 48 Q 8.13 4.61 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 49 D 7.92 5.46 0.00 2.69 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 50 Y 8.52 5.10 0.00 3.10 3.08 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 0.00 0.00 0.00 51 S 9.08 4.73 0.00 3.78 3.63 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 52 T 8.88 4.12 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 53 H 7.71 5.12 0.00 3.13 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 8.86 4.66 0.00 3.17 3.21 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 55 N 9.56 5.27 0.00 2.79 2.91 0.00 0.00 6.09 8.46 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 56 D 8.30 5.13 0.00 2.65 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 57 L 8.70 4.22 0.00 1.87 1.54 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.07 3.78 0.00 0.94 0.15 0.74 0.47 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 59 F 6.79 4.62 0.00 2.86 2.77 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 60 C 8.61 4.51 0.00 2.97 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.44 0.00 0.50 1.32 0.79 1.06 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 62 R 8.41 4.44 0.00 1.82 1.88 0.00 3.25 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 63 C 8.54 4.25 0.00 2.87 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 64 T 8.31 4.34 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 1.23 0.00 0.00 65 R 8.40 4.27 0.00 1.80 1.86 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 66 C 8.54 4.43 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.72 0.00 2.76 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 68 S 8.66 4.22 0.00 3.95 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 69 G 7.78 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 0.00 0.00 0.00 0.00 70 E 7.95 4.95 0.00 1.95 1.77 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 2.16 2.28 0.00 71 V 9.16 4.42 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 0.72 0.00 0.00 0.99 0.00 0.00 72 E 8.93 4.03 0.00 1.97 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 2.44 2.30 0.00 73 L 8.89 4.21 0.00 1.80 1.72 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.82 4.93 0.00 3.74 3.67 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 75 P 0.00 4.84 0.00 2.13 2.10 0.00 3.77 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 2.02 2.03 0.00 76 C 8.56 4.52 0.00 2.88 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 77 T 8.00 3.68 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 1.14 0.00 0.00 78 T 8.52 3.96 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 1.23 0.00 0.00 79 T 7.36 4.88 4.25 0.00 0.00 0.00 0.00 0.00 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 80 R 7.33 4.32 0.00 1.78 1.69 0.00 3.14 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 81 N 7.98 4.03 0.00 1.44 2.20 0.00 0.00 7.15 7.70 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 82 T 8.11 4.02 4.25 0.00 0.00 0.00 0.00 0.00 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 83 V 8.31 4.30 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 1.03 0.00 0.00 0.91 0.00 0.00 84 C 8.74 5.19 0.00 2.89 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 85 Q 8.34 4.58 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 1.97 2.34 0.00 86 C 8.58 4.90 0.00 2.75 2.90 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 87 E 8.49 4.27 0.00 1.95 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 2.32 2.25 0.00 88 E 8.37 3.85 0.00 1.93 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 2.27 2.29 0.00 89 G 10.04 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 0.00 0.00 0.00 90 T 7.60 5.62 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 1.18 0.00 0.00 91 F 7.91 5.24 0.00 3.13 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 4.61 0.00 1.60 1.80 0.00 3.14 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 93 E 8.66 4.75 0.00 2.26 2.26 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 2.54 2.33 0.00 94 E 9.06 3.87 0.00 1.99 2.10 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 2.33 2.40 0.00 95 D 7.99 4.73 0.00 2.86 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 96 S 7.94 4.68 0.00 3.79 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 97 P 0.00 4.44 0.00 2.20 2.22 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 98 E 8.05 4.14 0.00 1.91 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 2.27 2.33 0.00 99 M 7.70 4.53 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 100 C 7.84 3.91 0.00 2.95 3.07 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 0.00 0.00 0.00 0.00 101 R 7.05 4.64 0.00 1.00 1.58 0.00 3.05 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.36 0.00 102 K 8.83 4.26 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.50 7.81 103 C 8.13 5.31 0.00 3.06 3.08 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 0.00 0.00 0.00 *116 D 8.46 4.33 0.00 2.70 2.65 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 0.00 117 C 8.59 4.39 0.00 2.91 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 0.00 118 T 7.80 4.53 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 1.32 0.00 0.00 119 P 0.00 4.32 0.00 0.62 1.58 0.00 2.90 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.73 0.00 120 W 7.57 5.07 0.00 3.48 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 0.00 121 S 7.58 4.13 0.00 3.84 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 0.00 122 D 7.37 4.05 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 8.08 3.82 1.85 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 1.25 0.67 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.