NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 F 4.8359 8.3201 115.9253 56.7822 38.7876 175.7526 36 A 4.4167 8.5675 121.8785 47.3623 21.3915 174.8606 37 C 4.1452 8.6218 118.6543 58.1966 32.3776 173.0390 38 V 3.4225 8.1303 123.6082 66.4114 31.0960 177.7186 39 E 3.8617 8.0871 118.0025 59.9156 29.3947 178.6102 40 C 4.1614 8.0134 117.0823 62.3526 28.2124 176.3037 41 R 4.0126 8.3556 119.8327 59.1098 29.4117 178.7904 42 Q 4.0865 8.2420 118.8123 59.2975 29.2165 177.6880 43 Q 4.3076 7.9234 115.5027 54.3580 29.5710 175.9123 44 K 3.8623 7.4976 118.3291 57.8000 30.5409 174.7595 45 S 4.7473 8.2874 114.5037 56.2577 65.7845 174.4468 46 K 3.7087 8.6324 123.0791 55.5568 31.5913 176.0326 47 C 4.7618 8.7413 126.5767 57.3625 33.5783 174.3540 48 D 5.3203 8.4751 123.8208 50.8222 39.4031 172.8386 49 A 4.1684 7.8148 128.4132 53.5425 18.9105 180.8404 50 C 3.6948 7.6095 113.6349 59.3031 31.1145 178.2862 51 E 3.4376 8.7830 114.8310 60.6837 28.6611 179.0447 52 R 4.3233 5.8400 121.6104 58.8206 29.4824 180.1015 53 A 4.1251 7.0669 126.9477 49.6671 22.6444 178.1414 *54 P 4.3468 0.0000 0.0000 66.0089 31.0592 174.5428 55 E 4.1249 7.5614 112.3164 55.5529 29.8882 180.0120 56 P 4.3110 0.0000 0.0000 61.1187 32.0063 175.7089 57 C 3.9615 8.5589 114.7251 59.0935 29.3726 174.4106 58 T 3.8922 8.5871 120.7955 67.8110 68.0001 177.1101 59 K 4.0015 8.0703 124.4213 60.3915 31.7264 180.2878 60 C 4.5335 7.8113 114.8277 61.7449 27.8203 175.0770 61 A 4.3081 9.5367 127.3732 53.6952 17.9411 180.2787 62 K 4.0486 7.8664 124.8561 60.2777 32.3365 181.4547 63 K 4.3403 7.9717 123.8998 56.6607 32.9585 177.7508 64 N 4.3575 8.4507 117.1925 54.1273 36.8797 172.9384 65 V 4.4295 7.9867 112.2356 58.2534 36.3350 173.7275 66 P 4.2563 0.0000 0.0000 63.1070 30.3430 176.9034 67 C 4.3293 8.3004 127.9713 59.2735 29.6862 173.7735 68 I 4.0896 7.4422 121.5853 59.1766 36.3572 175.6219 69 L 5.2024 8.1770 122.9162 53.7365 42.0285 177.2050 70 K 4.5515 7.9938 127.0433 52.9455 30.9572 178.6811 71 R 4.0045 7.9275 123.3655 58.3511 30.0314 177.1626 72 D 4.9484 8.0335 114.6470 53.4972 39.9000 175.7805 73 F 4.9170 8.4376 121.7184 57.7020 40.7640 175.4106 74 R 3.9811 6.7781 124.1862 53.8087 33.1663 175.1244 75 R 4.0284 7.9386 119.1672 56.7305 29.7779 175.8267 76 T 4.4598 8.5447 116.9302 63.1213 70.2044 175.8401 77 Y 4.0350 8.7428 125.1284 58.1195 36.2106 176.3004 78 K 4.2520 6.8644 120.1568 58.6531 33.0456 177.8936 79 R 3.5327 8.5288 114.0312 60.0631 29.7825 178.2238 80 A 4.0061 8.3562 121.2538 56.2809 19.4393 178.8120 81 R 3.7311 8.8098 116.7652 59.3017 29.8245 177.7717 82 N 4.1216 8.7735 116.1881 56.7919 39.1569 176.9698 83 E 3.9626 8.4397 120.2367 59.0970 29.6428 178.6959 84 A 3.9749 8.8224 121.2405 55.9236 18.4669 179.2770 85 I 3.4653 7.7419 116.1882 64.7625 37.2723 177.2692 86 E 3.9491 8.9726 119.9762 59.5729 29.0731 179.3499 87 K 3.9426 7.8933 118.8012 60.1833 31.9379 178.3013 88 R 3.9555 8.5793 118.6348 58.9973 29.7216 178.5769 89 F 4.0274 8.8639 124.3433 62.9674 39.8306 177.7250 90 K 3.9606 9.0165 125.4308 59.2594 31.0817 182.5173 91 E 3.9851 8.3837 118.1692 61.4993 30.3548 182.5452 92 L 4.0270 7.7470 123.0923 59.3352 41.1134 181.8292 93 T 3.9305 8.2357 113.8433 65.3653 68.5148 177.3522 94 R 4.6357 7.8914 125.5561 60.4509 29.4526 180.9961 95 T 4.3225 8.1426 115.7509 67.3343 68.4858 182.8103 96 L 4.0174 7.6856 123.7559 58.8435 41.0677 180.5200 97 T 4.4535 8.0438 115.4453 66.5687 68.2074 175.0998 98 N 4.9433 9.0224 118.3344 53.1227 41.0937 180.4825 99 L 4.2404 8.1859 122.5392 54.8778 40.8582 179.4736 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 F 8.32 4.84 0.00 3.21 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 36 A 8.57 4.42 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 37 C 8.62 4.15 0.00 3.05 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 38 V 8.13 3.42 1.80 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 -0.25 0.00 0.00 0.79 0.00 0.00 39 E 8.09 3.86 0.00 2.04 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 2.35 2.46 0.00 40 C 8.01 4.16 0.00 3.13 3.13 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 0.00 0.00 0.00 0.00 41 R 8.36 4.01 0.00 2.32 2.20 0.00 3.49 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 42 Q 8.24 4.09 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.18 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 43 Q 7.92 4.31 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.41 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 44 K 7.50 3.86 0.00 1.84 1.83 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.30 7.81 45 S 8.29 4.75 0.00 3.92 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 46 K 8.63 3.71 0.00 1.79 1.70 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.03 7.81 47 C 8.74 4.76 0.00 2.86 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 48 D 8.48 5.32 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 4.17 1.09 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 0.00 0.00 0.00 0.00 0.00 50 C 7.61 3.69 0.00 2.76 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 51 E 8.78 3.44 0.00 2.05 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 52 R 5.84 4.32 0.00 1.66 1.78 0.00 3.28 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 53 A 7.07 4.13 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 *54 P 0.00 4.35 0.00 2.10 2.00 0.00 3.75 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 1.94 1.60 0.00 55 E 7.56 4.12 0.00 2.08 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 56 P 0.00 4.31 0.00 2.00 2.02 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 57 C 8.56 3.96 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 58 T 8.59 3.89 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 1.20 0.00 0.00 59 K 8.07 4.00 0.00 1.76 1.85 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.13 7.81 60 C 7.81 4.53 0.00 3.17 2.96 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 61 A 9.54 4.31 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 62 K 7.87 4.05 0.00 1.87 1.76 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.13 7.81 63 K 7.97 4.34 0.00 1.87 1.75 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.31 7.81 64 N 8.45 4.36 0.00 2.83 2.81 0.00 0.00 6.99 7.98 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 65 V 7.99 4.43 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 0.76 0.00 0.00 0.89 0.00 0.00 66 P 0.00 4.26 0.00 1.99 2.01 0.00 3.63 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 1.99 2.04 0.00 67 C 8.30 4.33 0.00 2.88 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 68 I 7.44 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 0.91 0.00 0.00 69 L 8.18 5.20 0.00 1.63 1.80 0.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.99 4.55 0.00 1.67 1.70 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 0.98 7.81 71 R 7.93 4.00 0.00 1.83 1.88 0.00 3.22 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 72 D 8.03 4.95 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.44 4.92 0.00 3.01 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 74 R 6.78 3.98 0.00 1.54 1.59 0.00 3.24 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.48 0.00 75 R 7.94 4.03 0.00 1.94 2.08 0.00 2.94 0.00 0.00 3.04 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.39 0.00 76 T 8.54 4.46 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 1.28 0.00 0.00 77 Y 8.74 4.03 0.00 3.10 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 78 K 6.86 4.25 0.00 1.76 1.73 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.63 1.47 7.81 79 R 8.53 3.53 0.00 1.94 1.82 0.00 3.28 0.00 0.00 3.35 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 80 A 8.36 4.01 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 81 R 8.81 3.73 0.00 1.95 2.12 0.00 3.33 0.00 0.00 3.19 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 82 N 8.77 4.12 0.00 2.85 2.89 0.00 0.00 6.85 7.67 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 83 E 8.44 3.96 0.00 2.17 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 0.00 2.32 2.34 0.00 84 A 8.82 3.97 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 85 I 7.74 3.47 2.03 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 1.68 0.97 0.91 0.00 0.00 86 E 8.97 3.95 0.00 2.00 2.00 0.00 0.00 0.00 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 2.40 0.00 87 K 7.89 3.94 0.00 1.93 2.03 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.51 7.81 88 R 8.58 3.96 0.00 2.09 1.95 0.00 3.25 0.00 0.00 3.12 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 89 F 8.86 4.03 0.00 3.01 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 90 K 9.02 3.96 0.00 1.81 1.65 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.33 7.81 91 E 8.38 3.99 0.00 2.00 1.93 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 2.25 2.26 0.00 92 L 7.75 4.03 0.00 1.65 1.71 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.24 3.93 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 0.88 0.00 0.00 94 R 7.89 4.64 0.00 1.93 1.90 0.00 3.16 0.00 0.00 3.92 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.13 0.00 95 T 8.14 4.32 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 96 L 7.69 4.02 0.00 1.74 1.63 0.92 0.84 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 97 T 8.04 4.45 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 1.20 0.00 0.00 98 N 9.02 4.94 0.00 2.64 2.46 0.00 0.00 6.82 6.81 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 99 L 8.19 4.24 0.00 1.65 1.49 0.92 0.71 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 * Residues marked with a * may have inaccurate shift predictions.