NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1410 8.2549 117.2603 54.8148 31.0708 175.1508 2 P 4.0285 0.0000 0.0000 62.4639 31.9087 176.0742 3 D 4.3878 8.3615 121.0042 57.1614 41.7029 178.6437 4 F 4.3583 7.9033 114.5906 59.5805 37.6689 177.4612 5 C 4.7491 7.3753 115.5145 58.7229 40.0121 174.5933 6 L 4.2315 7.8786 119.8817 54.6450 42.1637 176.8793 7 E 4.1811 7.6591 119.0314 55.5136 30.0071 175.0499 8 P 4.6050 0.0000 0.0000 60.9792 32.6227 174.2299 9 P 3.5926 0.0000 0.0000 62.7233 31.3167 175.1153 10 Y 4.6636 7.8886 121.9687 56.0140 40.3972 175.3733 11 T 4.1831 8.2752 125.2644 64.7012 68.8931 176.1219 12 G 3.6901 6.6234 105.5629 43.9406 0.0000 171.4466 13 P 4.2653 0.0000 0.0000 65.2551 31.6555 177.7329 14 C 4.4502 7.9258 116.3991 56.8413 40.6183 173.8340 15 K 4.1140 8.1841 118.3914 56.9405 33.1887 176.5044 16 A 4.1572 7.7002 122.6670 51.9811 19.8213 176.9718 17 R 5.0561 8.0664 116.8629 54.2678 30.0196 174.4397 18 I 4.4109 8.3484 122.4121 59.4789 39.9441 175.4329 19 I 4.3211 8.1285 126.7839 61.2617 38.1455 175.2272 20 R 4.5314 8.3297 123.9084 54.9745 35.3740 173.1915 21 Y 5.6751 9.1150 117.3576 56.5689 41.1508 175.3610 22 F 5.7226 9.5208 116.8767 55.4534 42.5247 172.8035 23 Y 4.4236 9.7106 122.5227 57.1206 40.0224 174.1987 24 N 4.3762 8.5132 126.6874 51.5033 38.1055 174.7535 25 A 3.7749 8.4125 128.0261 54.9832 18.6708 179.0303 26 K 3.9655 8.1963 113.0283 59.3149 32.1414 177.9817 27 A 4.1746 7.9273 118.9935 51.6553 19.4187 176.9317 28 G 4.2058 7.8364 104.2648 45.3665 0.0000 173.0302 29 L 4.6344 6.6657 117.8383 53.7422 46.0931 174.8495 30 C 5.0296 8.6631 120.7370 56.2422 41.0395 172.7656 31 Q 4.8382 8.5493 121.0517 54.5053 33.3305 174.1608 32 T 5.1807 8.5428 110.3290 61.2458 70.9141 173.7513 33 F 4.9543 8.6920 116.0450 56.0769 41.8407 173.0007 34 V 4.2973 8.4312 120.2011 62.0144 32.3451 174.2245 35 Y 4.7820 9.0908 131.1541 56.2577 40.2629 176.3746 36 G 3.9361 8.3084 113.4284 46.2158 0.0000 175.0658 37 G 3.8375 6.7064 107.4931 45.2830 0.0000 172.2629 38 C 4.8436 7.0476 111.8326 54.7743 44.6766 173.1572 39 R 3.7695 8.7256 116.1786 57.3014 27.1162 176.8717 40 A 4.3667 8.1539 118.6201 52.3172 19.3269 177.6757 41 K 4.4779 8.1576 119.6101 54.3038 34.5779 177.0844 42 R 3.4767 8.2234 118.6292 59.2812 30.2675 177.8585 43 N 4.7689 7.6103 116.7601 51.4672 37.2360 173.9558 44 N 5.0570 6.8909 116.5528 52.6764 41.4600 173.1031 45 F 4.9808 9.5445 125.5910 55.4262 41.7863 176.8430 46 K 4.0565 9.0398 126.3261 58.4177 32.7645 177.2972 47 S 4.8186 8.0121 112.5588 56.1721 65.0953 174.3775 48 A 3.2343 7.9729 130.4932 54.7609 18.1193 179.2110 49 E 3.7356 7.9242 117.3271 59.7580 29.6300 178.7872 50 D 4.2975 7.8021 118.4959 57.1967 40.7023 177.9355 51 C 2.4619 7.5081 118.4880 59.5977 42.8024 175.7236 52 M 3.7197 7.7794 120.0416 58.0637 31.2139 178.7406 53 R 3.8948 7.5069 118.2964 59.2145 30.3580 178.3397 54 T 4.0257 7.7344 114.9794 66.2862 68.6957 175.5077 55 C 4.3676 7.8796 116.2257 57.2602 41.3453 174.1725 56 G 3.5184 7.4140 113.6451 45.5842 0.0000 173.2383 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 1 R 8.25 4.14 0.00 1.71 1.80 0.00 3.00 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 2 P 0.00 4.03 0.00 0.93 1.63 0.00 3.26 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.02 0.00 3 D 8.36 4.39 0.00 2.76 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 4 F 7.90 4.36 0.00 3.24 3.35 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 5 C 7.38 4.75 0.00 2.97 3.23 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 6 L 7.88 4.23 0.00 1.82 1.77 1.02 1.17 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 7 E 7.66 4.18 0.00 2.11 1.91 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 2.39 2.48 0.00 8 P 0.00 4.60 0.00 2.09 2.02 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 9 P 0.00 3.59 0.00 0.65 0.49 0.00 3.34 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.00 10 Y 7.89 4.66 0.00 2.75 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 11 T 8.28 4.18 4.11 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 0.00 0.00 0.00 1.21 0.00 0.00 12 G 6.62 3.69 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 0.00 0.00 0.00 13 P 0.00 4.27 0.00 2.17 2.20 0.00 3.80 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 1.98 2.03 0.00 14 C 7.93 4.45 0.00 2.93 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 15 K 8.18 4.11 0.00 1.78 1.86 0.00 1.39 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.42 7.81 16 A 7.70 4.16 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 5.06 0.00 1.60 1.78 0.00 3.16 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.35 4.41 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.91 0.00 0.00 19 I 8.13 4.32 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.39 0.57 0.00 0.00 20 R 8.33 4.53 0.00 0.67 1.84 0.00 3.20 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.00 21 Y 9.12 5.68 0.00 3.17 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 22 F 9.52 5.72 0.00 3.27 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 23 Y 9.71 4.42 0.00 3.15 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 24 N 8.51 4.38 0.00 2.21 2.44 0.00 0.00 6.61 8.38 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 25 A 8.41 3.77 1.34 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 0.00 0.00 0.00 26 K 8.20 3.97 0.00 1.91 1.87 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 27 A 7.93 4.17 1.19 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 0.00 0.00 0.00 0.00 0.00 28 G 7.84 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 0.00 0.00 0.00 0.00 29 L 6.67 4.63 0.00 1.67 1.32 0.90 0.92 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 30 C 8.66 5.03 0.00 2.89 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 31 Q 8.55 4.84 0.00 1.64 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 32 T 8.54 5.18 4.13 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 1.15 0.00 0.00 33 F 8.69 4.95 0.00 2.96 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 34 V 8.43 4.30 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 0.72 0.00 0.00 0.90 0.00 0.00 35 Y 9.09 4.78 0.00 2.49 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 36 G 8.31 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 37 G 6.71 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 38 C 7.05 4.84 0.00 3.05 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 39 R 8.73 3.77 0.00 2.10 2.29 0.00 3.31 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 40 A 8.15 4.37 1.06 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 41 K 8.16 4.48 0.00 1.71 1.79 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.10 1.10 7.81 42 R 8.22 3.48 0.00 1.37 0.66 0.00 2.86 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 43 N 7.61 4.77 0.00 3.16 2.87 0.00 0.00 6.95 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 44 N 6.89 5.06 0.00 2.68 2.51 0.00 0.00 7.10 7.02 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 45 F 9.54 4.98 0.00 3.25 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 46 K 9.04 4.06 0.00 1.78 1.93 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.50 7.81 47 S 8.01 4.82 0.00 3.95 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 48 A 7.97 3.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.92 3.74 0.00 1.96 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 0.00 2.33 2.35 0.00 50 D 7.80 4.30 0.00 2.90 2.80 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 51 C 7.51 2.46 0.00 2.81 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 52 M 7.78 3.72 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.46 0.00 53 R 7.51 3.89 0.00 1.79 1.90 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 54 T 7.73 4.03 4.17 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 1.50 0.00 0.00 55 C 7.88 4.37 0.00 2.61 2.12 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 56 G 7.41 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00