NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7504 8.2833 118.1261 52.9756 40.3048 174.8203 3 D 4.1751 8.8359 123.6642 57.0130 40.8751 177.3164 4 K 3.9178 8.8856 119.7439 59.4746 32.4418 178.9106 5 K 3.9205 7.9954 117.8895 59.6168 32.0175 179.0163 6 I 3.6962 7.5096 119.4648 64.5017 37.0564 178.0399 7 E 3.9259 8.5264 120.2006 59.1566 29.4162 178.5205 8 L 3.9714 8.2775 120.6592 58.3998 42.1417 179.0329 9 L 4.0835 8.3529 119.2307 58.0043 41.5792 179.7420 10 T 3.9438 8.3846 116.2574 67.0489 68.2011 176.9772 11 T 4.0545 7.8520 116.5645 66.3966 68.8110 176.2220 12 Y 4.1437 8.4818 122.0221 60.8040 38.9467 178.0022 13 L 4.3822 8.5732 120.3887 57.5427 41.5280 178.8593 14 S 4.5383 7.9292 111.4857 59.6039 63.3730 175.3485 15 L 4.2006 7.9440 122.4539 55.1360 41.5497 175.6001 16 Y 5.2315 7.5101 115.8617 56.1771 40.7710 173.9094 17 I 4.4419 8.2826 120.3217 59.8286 41.8077 175.9348 *21 T 4.2508 8.3555 117.0234 63.5744 69.9518 176.9335 22 V 3.4917 7.5524 119.1217 65.5215 31.6280 176.9822 23 L 4.0625 7.7959 118.8090 58.1296 40.7119 177.9526 24 A 4.1896 7.8025 121.3985 54.4876 19.2671 178.0419 25 D 4.5370 7.9441 114.8098 54.0034 42.2032 174.6752 *32 K 4.1874 8.6534 116.0662 56.2556 34.4421 176.4387 33 Y 5.4044 7.7773 115.1120 56.3394 40.5550 176.2329 34 V 4.2271 8.3298 122.3112 60.6882 33.8199 174.9170 35 V 4.3360 8.2588 127.3583 62.9515 33.0178 174.8052 36 L 4.8840 8.8967 124.7190 53.2030 45.5554 175.4539 37 D 4.2071 8.5822 125.7300 53.4567 41.1643 175.7496 38 V 4.1494 7.3907 119.8743 61.1473 32.4379 176.9429 39 R 4.3379 7.8520 127.7016 56.1644 29.0648 178.7400 40 N 4.5913 7.7970 119.9819 51.2277 37.8712 173.1690 41 A 3.5978 8.1499 126.4031 52.4102 19.4325 178.2710 *52 G 3.7210 8.3108 110.2237 45.5248 0.0000 171.7912 53 A 4.4933 7.7032 122.9486 51.5864 20.6619 177.6918 54 I 4.0888 8.3157 121.6620 60.5445 38.1131 175.9070 55 A 3.9945 8.5760 129.2263 51.5870 18.7797 174.8313 *57 P 4.1089 0.0000 0.0000 61.8755 33.0081 177.8377 58 A 3.9699 8.0836 123.6119 55.3941 18.3000 180.1423 59 K 4.5563 7.7861 112.7134 56.9783 32.6554 177.3424 60 D 4.6996 8.2685 117.5064 54.5201 46.5742 177.5273 61 L 3.8154 7.8954 120.7892 58.1846 41.7768 178.6304 62 A 3.9716 7.9491 118.6974 55.5434 18.3106 179.1066 63 T 4.1668 7.8226 112.5248 65.2785 68.6778 176.3359 64 R 4.5899 7.5118 118.6974 55.7495 30.5234 176.9659 65 I 3.9752 7.4045 117.7789 61.7657 37.9948 176.6118 66 G 3.9076 7.8675 108.0363 47.5913 0.0000 174.5570 67 E 4.3369 7.7992 115.5768 56.3195 29.8715 176.0311 68 L 4.4701 7.5378 120.0940 53.3884 43.0649 175.6674 69 D 4.5791 8.9341 124.1692 53.5674 41.2480 174.9225 70 P 4.9638 0.0000 0.0000 63.9364 31.0959 176.3795 71 A 4.6190 8.1121 122.4254 53.1304 20.7805 177.7627 72 K 4.1703 7.9503 115.4251 56.3083 33.0269 177.4502 73 T 4.3834 8.6202 122.7248 63.8998 69.6153 173.3160 74 Y 4.8398 8.7879 124.3569 57.0269 40.1060 174.7435 75 V 4.9764 8.5214 122.3134 61.2298 34.7584 174.6011 76 V 5.2163 8.6888 120.5346 59.7924 33.6796 174.2313 77 Y 5.2208 8.2719 120.6588 55.4374 41.8070 173.6433 78 D 4.9125 8.7448 119.2034 51.7477 44.2088 175.9673 79 W 4.4266 8.9868 122.3976 59.1075 28.5660 175.7437 *83 T 4.3187 7.4669 108.6977 61.7004 69.4754 173.4913 84 T 3.9037 8.6981 109.8207 65.9223 68.2279 175.7481 85 L 4.1053 7.7782 120.1800 57.3241 41.6710 179.6253 86 G 3.5810 8.0303 105.6285 47.9108 0.0000 175.8954 87 K 3.9116 7.9754 121.1843 59.0540 32.0697 179.1684 88 T 3.8195 8.3243 116.2825 66.8239 68.3574 176.2206 89 A 3.9159 7.8857 122.2761 55.0343 18.3542 179.3609 90 L 3.7927 7.7611 118.6455 58.2538 42.1847 178.9699 91 L 3.9391 8.2306 120.6633 57.9597 42.0056 179.0967 92 V 3.5498 7.8285 118.2190 65.9451 31.6334 177.8151 93 L 4.0352 8.0246 118.8127 58.1294 41.5412 179.7392 94 L 4.2309 8.3385 119.0399 57.9137 41.2573 179.8636 95 S 4.1408 8.0651 114.3239 61.3766 62.8583 176.2674 96 A 4.1132 7.8192 122.4088 53.2798 18.1980 178.2193 97 G 3.8899 7.5382 103.3939 45.0227 0.0000 174.1007 98 F 4.5389 7.6629 117.9554 57.5399 40.2919 174.7515 99 E 4.6954 9.0901 119.4486 54.9352 31.2580 175.1459 100 A 5.4056 8.2257 124.9590 50.7787 23.2335 173.5134 101 Y 4.7175 8.9646 115.5549 56.8585 43.5472 173.6889 102 E 4.9823 9.1287 121.6377 54.0948 31.9366 174.7129 103 L 4.3998 9.3589 130.2384 54.9632 42.7242 176.7516 104 A 4.2194 9.0534 129.1457 52.8721 18.2830 176.7567 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 2 N 8.28 4.75 0.00 2.85 2.82 0.00 0.00 7.01 7.19 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 3 D 8.84 4.18 0.00 2.85 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 4 K 8.89 3.92 0.00 1.80 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.55 7.81 5 K 8.00 3.92 0.00 1.93 1.85 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 6 I 7.51 3.70 2.04 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 1.42 0.79 0.93 0.00 0.00 7 E 8.53 3.93 0.00 2.23 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 2.39 0.00 8 L 8.28 3.97 0.00 1.85 1.90 1.00 0.54 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 9 L 8.35 4.08 0.00 1.73 1.75 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.38 3.94 4.44 0.00 0.00 0.00 0.00 0.00 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 11 T 7.85 4.05 4.32 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 1.24 0.00 0.00 12 Y 8.48 4.14 0.00 3.26 3.03 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 13 L 8.57 4.38 0.00 1.94 1.83 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.93 4.54 0.00 4.17 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 15 L 7.94 4.20 0.00 1.33 1.28 0.62 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.51 5.23 0.00 2.91 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 17 I 8.28 4.44 1.54 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.85 0.91 0.00 0.00 *21 T 8.36 4.25 4.12 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 1.40 0.00 0.00 22 V 7.55 3.49 1.89 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 0.71 0.00 0.00 0.24 0.00 0.00 23 L 7.80 4.06 0.00 1.76 1.74 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.80 4.19 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 25 D 7.94 4.54 0.00 2.85 3.03 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 *32 K 8.65 4.19 0.00 1.62 1.47 0.00 0.92 0.00 0.00 1.37 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.47 1.14 7.81 33 Y 7.78 5.40 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 34 V 8.33 4.23 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 0.95 0.00 0.00 0.69 0.00 0.00 35 V 8.26 4.34 2.15 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 1.14 0.00 0.00 0.94 0.00 0.00 36 L 8.90 4.88 0.00 1.62 1.51 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.58 4.21 0.00 2.71 2.56 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 38 V 7.39 4.15 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 0.64 0.00 0.00 0.79 0.00 0.00 39 R 7.85 4.34 0.00 1.54 1.12 0.00 2.37 0.00 0.00 3.08 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.19 0.00 40 N 7.80 4.59 0.00 2.62 2.65 0.00 0.00 5.79 7.26 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 41 A 8.15 3.60 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 *52 G 8.31 3.72 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 0.00 0.00 0.00 53 A 7.70 4.49 1.37 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 0.00 0.00 54 I 8.32 4.09 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.93 0.00 0.00 55 A 8.58 3.99 1.20 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 *57 P 0.00 4.11 0.00 2.40 2.10 0.00 3.65 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 1.93 2.04 0.00 58 A 8.08 3.97 1.24 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 59 K 7.79 4.56 0.00 1.85 1.88 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 60 D 8.27 4.70 0.00 2.75 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 61 L 7.90 3.82 0.00 1.69 1.60 0.76 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.95 3.97 1.29 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 0.00 0.00 0.00 63 T 7.82 4.17 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 1.20 0.00 0.00 64 R 7.51 4.59 0.00 1.80 2.04 0.00 3.09 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 65 I 7.40 3.98 2.03 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 1.60 0.72 0.96 0.00 0.00 66 G 7.87 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 67 E 7.80 4.34 0.00 2.10 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 0.00 2.43 2.26 0.00 68 L 7.54 4.47 0.00 1.28 1.01 -0.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.93 4.58 0.00 2.87 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 70 P 0.00 4.96 0.00 2.25 2.16 0.00 3.92 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 2.07 2.02 0.00 71 A 8.11 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 72 K 7.95 4.17 0.00 1.33 1.38 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.30 7.81 73 T 8.62 4.38 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 74 Y 8.79 4.84 0.00 2.86 2.85 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 0.00 0.00 0.00 75 V 8.52 4.98 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 0.98 0.00 0.00 0.78 0.00 0.00 76 V 8.69 5.22 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 0.81 0.00 0.00 0.99 0.00 0.00 77 Y 8.27 5.22 0.00 3.08 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 78 D 8.74 4.91 0.00 2.62 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 79 W 8.99 4.43 0.00 3.54 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 *83 T 7.47 4.32 4.32 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 1.32 0.00 0.00 84 T 8.70 3.90 4.27 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 0.00 0.00 0.00 1.25 0.00 0.00 85 L 7.78 4.11 0.00 1.76 1.73 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.03 3.58 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 0.00 0.00 0.00 87 K 7.98 3.91 0.00 1.80 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.59 7.81 88 T 8.32 3.82 4.34 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 1.19 0.00 0.00 89 A 7.89 3.92 1.30 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 0.00 0.00 90 L 7.76 3.79 0.00 1.70 1.76 0.79 0.31 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 91 L 8.23 3.94 0.00 1.72 1.89 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.83 3.55 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 0.96 0.00 0.00 0.98 0.00 0.00 93 L 8.02 4.04 0.00 1.85 1.71 0.82 0.35 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 94 L 8.34 4.23 0.00 1.60 1.67 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.07 4.14 0.00 4.02 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 96 A 7.82 4.11 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 97 G 7.54 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 98 F 7.66 4.54 0.00 3.11 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 99 E 9.09 4.70 0.00 2.01 1.95 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 2.39 2.30 0.00 100 A 8.23 5.41 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 0.00 101 Y 8.96 4.72 0.00 2.83 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 E 9.13 4.98 0.00 1.67 1.20 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 2.33 2.40 0.00 103 L 9.36 4.40 0.00 1.73 1.78 0.87 0.82 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 0.00 104 A 9.05 4.22 1.24 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 * Residues marked with a * may have inaccurate shift predictions.