NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7622 8.1700 119.7128 53.1786 41.1348 175.6137 2 H 3.9215 8.8808 117.4529 58.8485 29.4867 174.8784 3 Y 3.8489 8.8980 122.0601 61.0251 39.1718 177.3503 4 N 4.4915 9.1944 117.7539 56.2373 38.5241 176.7057 5 C 4.2088 8.5768 120.4136 59.7296 37.9434 175.8843 6 V 3.4665 7.9250 119.9693 66.0342 30.8935 177.8263 7 S 4.0427 8.0907 112.4465 60.7821 62.1917 175.2703 8 S 4.6612 7.8714 114.3996 57.9703 63.1312 174.8322 9 G 3.8273 7.9812 109.5605 45.5150 0.0000 173.9004 10 G 4.0480 7.9160 107.3700 45.1130 0.0000 173.4016 11 Q 4.7879 8.6677 118.2760 53.9109 31.9175 174.8859 12 C 4.8010 8.7650 121.7121 56.8639 37.5653 173.0407 13 E 4.7331 8.9909 122.6245 55.1102 33.0869 176.4041 14 Y 4.2925 9.0300 121.8239 60.0383 38.8218 175.2223 15 S 4.9972 7.6695 113.9525 56.4978 64.5725 172.7506 16 A 4.1244 8.5059 121.2768 52.4407 18.7187 178.5160 17 C 4.4115 8.5632 118.8751 56.0753 39.8928 172.3499 18 P 4.4394 0.0000 0.0000 62.3830 31.4281 175.5196 19 I 3.5622 7.9819 119.2606 62.9421 38.0660 175.7367 20 F 4.1601 8.5302 123.8921 58.0428 35.9792 174.1269 21 T 5.0029 7.7785 110.0931 60.0013 72.0165 172.5532 22 K 4.6858 8.0560 119.7660 55.2978 36.6636 175.0042 23 I 4.0985 8.1956 121.6028 61.7375 37.4644 177.2139 24 Q 4.3483 9.4464 128.3978 53.7244 29.8318 173.9520 25 G 3.8418 9.1423 110.3450 44.0164 0.0000 169.4481 26 T 4.9757 7.9295 106.6013 60.1474 72.0637 173.0260 27 C 4.5875 8.1402 118.2812 56.2640 46.1529 172.8132 28 Y 3.5854 8.6009 115.8883 60.2806 33.6912 170.2549 29 R 3.9263 8.9749 111.8966 57.2727 28.4190 178.2870 30 G 3.9644 8.4485 103.8019 45.7099 0.0000 175.1689 31 K 4.2031 8.0425 117.9998 57.3245 32.6982 176.1639 32 A 4.7174 7.9988 120.4976 49.7783 22.7541 175.0338 33 K 4.6891 8.8100 118.4156 55.1543 34.9241 175.4442 34 C 4.9048 8.8563 124.4351 55.8342 45.7697 171.5232 35 C 5.3480 9.1974 125.1995 55.5420 41.9438 174.3585 36 K 4.2463 8.8549 122.6112 56.6776 32.5248 176.1964 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 D 8.17 4.76 0.00 2.97 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 2 H 8.88 3.92 0.00 3.43 3.47 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.90 3.85 0.00 3.15 3.04 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 0.00 0.00 0.00 0.00 4 N 9.19 4.49 0.00 2.90 2.90 0.00 0.00 6.76 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 5 C 8.58 4.21 0.00 3.01 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 6 V 7.93 3.47 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 0.83 0.00 0.00 0.94 0.00 0.00 7 S 8.09 4.04 0.00 3.66 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 8 S 7.87 4.66 0.00 4.07 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 9 G 7.98 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 0.00 0.00 0.00 10 G 7.92 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.67 4.79 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 12 C 8.76 4.80 0.00 2.62 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 0.00 0.00 0.00 13 E 8.99 4.73 0.00 1.74 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 2.36 2.40 0.00 14 Y 9.03 4.29 0.00 3.01 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 15 S 7.67 5.00 0.00 3.86 3.79 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 16 A 8.51 4.12 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 17 C 8.56 4.41 0.00 3.01 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 18 P 0.00 4.44 0.00 2.22 2.19 0.00 3.71 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 2.08 1.97 0.00 19 I 7.98 3.56 1.68 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.20 0.88 0.00 0.00 20 F 8.53 4.16 0.00 3.31 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 21 T 7.78 5.00 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 22 K 8.06 4.69 0.00 1.79 1.91 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.47 7.81 23 I 8.20 4.10 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 1.20 0.52 0.92 0.00 0.00 24 Q 9.45 4.35 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.29 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 25 G 9.14 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 26 T 7.93 4.98 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 1.17 0.00 0.00 27 C 8.14 4.59 0.00 1.72 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 0.00 0.00 0.00 28 Y 8.60 3.59 0.00 3.03 2.94 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 29 R 8.97 3.93 0.00 1.99 2.03 0.00 3.46 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.45 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 0.00 0.00 0.00 31 K 8.04 4.20 0.00 2.09 2.12 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.79 1.65 7.81 32 A 8.00 4.72 0.46 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 33 K 8.81 4.69 0.00 1.56 1.66 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.48 7.81 34 C 8.86 4.90 0.00 2.87 3.11 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 0.00 35 C 9.20 5.35 0.00 2.84 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 36 K 8.85 4.25 0.00 1.55 1.62 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.36 7.81