NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 I 4.2549 8.0093 121.4529 60.8568 39.4791 175.5745 -1 S 4.5065 7.9419 110.4293 57.1748 68.0074 172.7398 2 S 4.8175 7.7630 114.2171 55.4311 66.0090 172.6384 3 P 4.7312 0.0000 0.0000 63.0451 31.8160 176.2483 4 K 4.2947 8.0079 117.9669 56.4806 32.4017 176.4774 5 Q 3.5061 7.4401 114.8900 57.4088 28.9079 177.0671 6 E 5.6445 7.7458 127.4753 54.9282 31.3615 176.9672 7 E 4.0430 8.6852 125.7314 55.7955 29.5864 173.7309 8 Y 3.8807 8.5433 120.7059 57.7832 37.9068 176.2008 9 E 4.1141 8.2392 126.1818 55.4041 28.5521 177.7852 10 V 3.0053 7.8737 117.0467 61.7269 31.5647 170.7252 11 E 4.8265 7.8224 115.9586 55.1478 31.8623 174.5965 12 R 3.9324 9.1579 115.7760 54.3143 30.3608 171.3456 13 I 2.6839 7.7381 123.1387 60.9856 35.1051 173.5389 14 V 4.2982 7.6863 125.3193 61.7668 32.8228 175.0530 15 D 4.7765 7.0369 119.3189 53.8848 44.6201 173.4856 16 E 5.2548 8.8421 117.7057 54.9830 32.8346 174.5795 17 K 4.5641 9.1312 121.7814 54.9399 34.7539 176.2464 18 L 4.9489 8.5040 125.7666 53.9614 44.2093 174.2432 19 D 5.2228 8.5393 119.4411 51.4283 42.4428 177.0239 20 R 4.0948 8.6877 113.6227 58.2888 29.4217 176.9522 21 N 4.4459 8.1739 115.1560 53.6219 38.9575 176.0665 22 G 3.8099 8.4435 106.5927 45.4445 0.0000 173.3165 23 A 4.5005 7.9650 123.6076 50.2923 21.0781 176.5279 24 V 4.3105 7.9090 118.1486 63.3514 33.0319 173.7605 25 K 4.4834 8.0000 121.0891 56.9523 38.6425 175.7100 26 L 4.7449 7.5610 117.8094 53.8461 46.7901 174.5265 27 Y 5.2863 9.1508 117.1538 56.4999 42.8555 174.1865 28 R 3.9556 8.6914 122.5001 54.2923 32.1069 174.6742 29 I 4.1022 7.8874 126.7634 59.2962 39.7379 175.1539 30 R 4.1467 7.8321 127.3178 55.6391 31.4318 176.6201 31 W 4.6442 8.3524 118.6080 56.4940 31.7054 175.0623 32 L 4.0959 8.1309 123.5977 58.2155 41.0481 179.6027 33 N 4.3250 8.4145 115.6673 56.3011 38.3553 175.1877 34 Y 4.4284 7.6067 115.1103 59.4806 37.9879 176.3676 35 S 4.2547 7.1557 122.4624 59.0108 64.5052 175.8527 36 S 3.8454 8.5785 113.2422 58.3933 61.2451 170.9765 37 R 4.4167 8.2764 116.5784 56.0723 34.1106 172.0959 38 S 4.0903 8.9253 123.4312 57.6969 63.9058 169.4418 39 D 5.2938 8.4846 121.1754 52.0403 42.4578 174.3141 40 T 4.9421 8.6380 111.6953 60.2976 71.4298 172.0663 41 W 5.3900 9.0260 123.8290 55.1526 31.8043 175.4026 42 E 4.9323 9.3281 121.8059 54.2696 33.4224 173.7719 43 P 4.8946 0.0000 0.0000 61.5253 32.7896 175.9509 44 P 4.5678 0.0000 0.0000 66.1954 31.0841 178.7713 45 E 4.2001 8.4110 115.3834 59.7538 29.6198 178.8002 46 N 4.6439 8.0203 114.8144 55.1879 38.7269 175.8797 47 L 4.3441 8.3452 120.9348 55.2707 41.6833 177.2596 48 S 4.8627 7.8867 111.8997 58.3285 63.0648 175.0263 49 G 4.2311 7.8243 107.0207 45.9008 0.0000 174.0586 50 C 4.5525 7.9445 117.7511 60.3565 29.3644 175.8266 51 S 4.0202 8.1637 119.0950 61.8803 62.4773 176.2421 52 A 3.9092 7.8849 122.5337 55.1212 18.2945 179.3727 53 V 3.4415 7.7201 116.1226 66.4330 31.4772 178.0083 54 L 3.9574 8.6328 118.7467 57.6929 41.3594 179.5014 55 A 4.0119 7.9934 121.0316 55.0744 18.3591 179.5342 56 E 3.9351 8.2978 116.2646 59.2180 29.6090 178.8680 57 W 4.4107 8.2683 129.6405 60.0796 30.2711 177.5919 58 K 3.7312 8.4548 118.9101 60.5645 31.6015 178.9023 59 R 4.0608 7.6827 118.2294 58.5475 30.2415 178.6315 60 R 4.0770 7.7688 117.1257 57.9993 30.1141 178.5900 61 K 3.3119 7.7737 118.3064 59.3664 31.9449 179.1592 62 R 3.9664 7.0039 117.8478 59.5049 30.1514 178.5213 63 R 3.9616 7.7194 116.7206 57.7598 30.3726 175.8725 64 L 3.6448 7.3205 120.0234 56.4601 41.8823 174.6871 65 K 3.7681 8.8457 129.8160 54.1428 31.7514 172.0796 66 G 3.6687 8.4041 123.4929 45.3434 0.0000 171.8761 67 S 4.5248 7.3196 118.8681 56.6777 67.1272 172.9010 68 N 4.3700 7.6197 123.8679 53.6223 41.2399 174.9577 69 S 4.3268 7.7761 117.9548 58.2949 62.9460 173.8671 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 I 8.01 4.25 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 1.49 1.09 0.93 0.00 0.00 -1 S 7.94 4.51 0.00 4.01 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 2 S 7.76 4.82 0.00 3.96 3.85 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 3 P 0.00 4.73 0.00 2.20 2.17 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 4 K 8.01 4.29 0.00 1.79 1.80 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.38 7.81 5 Q 7.44 3.51 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.12 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 6 E 7.75 5.64 0.00 2.22 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 2.06 2.31 0.00 7 E 8.69 4.04 0.00 2.00 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 0.00 2.35 2.31 0.00 8 Y 8.54 3.88 0.00 2.93 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 9 E 8.24 4.11 0.00 1.88 1.92 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 2.56 2.68 0.00 10 V 7.87 3.01 1.96 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 0.34 0.00 0.00 0.58 0.00 0.00 11 E 7.82 4.83 0.00 2.26 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 0.00 2.21 2.10 0.00 12 R 9.16 3.93 0.00 1.94 1.88 0.00 3.36 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 1.41 1.38 0.00 13 I 7.74 2.68 0.56 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.11 -0.89 0.00 0.00 14 V 7.69 4.30 1.96 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 0.70 0.00 0.00 0.79 0.00 0.00 15 D 7.04 4.78 0.00 2.65 2.37 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 16 E 8.84 5.25 0.00 2.06 2.14 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 2.95 3.03 0.00 17 K 9.13 4.56 0.00 1.69 1.69 0.00 1.06 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.24 1.44 7.81 18 L 8.50 4.95 0.00 1.53 1.80 0.95 1.10 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 19 D 8.54 5.22 0.00 2.73 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 20 R 8.69 4.09 0.00 1.94 2.09 0.00 3.18 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 21 N 8.17 4.45 0.00 3.14 2.90 0.00 0.00 7.22 7.65 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 22 G 8.44 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 23 A 7.97 4.50 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 4.31 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 0.19 0.00 0.00 1.04 0.00 0.00 25 K 8.00 4.48 0.00 1.76 1.71 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.34 7.81 26 L 7.56 4.74 0.00 1.54 1.61 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 9.15 5.29 0.00 2.91 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 28 R 8.69 3.96 0.00 0.67 1.09 0.00 2.22 0.00 0.00 2.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 29 I 7.89 4.10 1.47 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.98 -0.65 0.00 0.00 30 R 7.83 4.15 0.00 1.62 1.60 0.00 3.25 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 31 W 8.35 4.64 0.00 3.21 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 32 L 8.13 4.10 0.00 1.91 1.95 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.41 4.32 0.00 2.71 3.08 0.00 0.00 7.00 7.61 0.00 0.00 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 Y 7.61 4.43 0.00 2.92 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 35 S 7.16 4.25 0.00 3.78 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 36 S 8.58 3.85 0.00 4.18 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 37 R 8.28 4.42 0.00 1.83 1.80 0.00 3.33 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 38 S 8.93 4.09 0.00 4.20 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 39 D 8.48 5.29 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.64 4.94 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 1.34 0.00 0.00 41 W 9.03 5.39 0.00 3.19 3.26 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 42 E 9.33 4.93 0.00 1.96 1.88 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 2.39 2.38 0.00 43 P 0.00 4.89 0.00 2.35 2.02 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 44 P 0.00 4.57 0.00 2.29 2.43 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 45 E 8.41 4.20 0.00 1.98 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 2.38 2.41 0.00 46 N 8.02 4.64 0.00 2.91 2.91 0.00 0.00 6.96 6.68 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 47 L 8.35 4.34 0.00 1.61 1.57 0.65 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.89 4.86 0.00 4.02 4.09 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 49 G 7.82 4.23 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 0.00 50 C 7.94 4.55 0.00 2.90 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 51 S 8.16 4.02 0.00 3.85 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 52 A 7.88 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.44 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 0.90 0.00 0.00 0.83 0.00 0.00 54 L 8.63 3.96 0.00 1.81 1.70 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.99 4.01 1.44 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 0.00 0.00 0.00 56 E 8.30 3.94 0.00 2.24 2.22 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 2.64 2.44 0.00 57 W 8.27 4.41 0.00 3.48 3.22 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 0.00 58 K 8.45 3.73 0.00 1.96 2.07 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.69 7.81 59 R 7.68 4.06 0.00 1.96 2.02 0.00 3.14 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 60 R 7.77 4.08 0.00 1.96 1.61 0.00 3.15 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 61 K 7.77 3.31 0.00 1.62 1.68 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.53 1.31 7.81 62 R 7.00 3.97 0.00 1.86 1.92 0.00 3.12 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 1.59 1.67 0.00 63 R 7.72 3.96 0.00 1.71 1.82 0.00 3.27 0.00 0.00 3.12 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 64 L 7.32 3.64 0.00 1.51 1.37 0.95 0.50 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 65 K 8.85 3.77 0.00 1.90 1.81 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.49 7.81 66 G 8.40 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 0.00 0.00 0.00 67 S 7.32 4.52 0.00 3.77 3.66 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 0.00 0.00 0.00 68 N 7.62 4.37 0.00 2.78 2.83 0.00 0.00 6.02 7.64 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 69 S 7.78 4.33 0.00 3.99 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