# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 A C C 61.64 6.76 11.17 19.15 109.04 -133.04 -81.24 132.72 99.87 0.03 0.09 99.75 0.09 0.08 0.05 0.00 0.00 0.01 0.01 1 E C C 125.34 2.99 10.34 14.66 107.78 61.61 -84.07 78.98 68.96 0.95 30.09 64.44 1.56 4.82 24.54 3.70 0.00 0.42 0.52 2 V C H 103.54 3.08 9.34 13.92 100.32 60.88 -76.84 -24.98 50.49 1.43 48.08 31.35 8.99 11.17 36.36 10.74 0.02 0.73 0.65 3 K H H 133.71 3.02 10.04 14.50 98.80 62.10 -77.76 -21.57 48.03 1.62 50.36 29.83 8.06 11.16 38.10 11.25 0.02 0.85 0.72 4 Q C H 118.29 3.26 10.13 14.86 101.63 63.67 -82.10 -0.64 50.29 1.64 48.07 31.55 9.24 10.85 37.42 9.34 0.02 0.80 0.79 5 E C C 124.54 3.30 10.18 14.99 103.05 77.51 -82.76 -0.38 62.52 1.64 35.84 34.16 15.41 14.10 28.59 6.13 0.03 0.66 0.93 6 S C C 70.49 3.81 9.72 15.09 107.42 83.82 -88.23 36.26 75.13 1.61 23.26 44.44 14.33 16.59 15.61 7.29 0.01 0.68 1.07 7 L C T 126.86 2.47 9.96 13.79 98.60 -63.36 -79.99 -5.74 76.85 1.38 21.77 26.65 17.14 33.94 11.44 9.27 0.02 0.58 0.97 8 S C T 75.84 3.14 10.46 15.03 101.66 72.45 -84.56 2.25 83.54 1.03 15.43 19.60 22.08 42.64 7.32 7.16 0.01 0.46 0.75 9 G C S 55.39 2.29 12.78 15.90 100.25 -98.51 83.67 4.33 92.34 1.92 5.74 31.31 40.65 21.10 1.82 3.23 0.00 0.88 1.01 10 I C C 73.04 8.02 8.20 17.86 118.22 122.81 -90.85 142.01 91.48 5.82 2.71 72.65 16.27 1.85 2.12 0.74 0.00 2.11 4.26 11 T C C 74.34 2.23 14.51 16.93 120.33 -122.64 -79.15 161.89 92.46 3.36 4.18 85.71 5.22 1.15 4.20 0.47 0.00 1.21 2.03 12 E H H 135.97 2.90 11.86 16.53 93.18 -104.39 -59.71 -38.11 6.98 0.04 92.98 1.71 1.36 4.00 91.51 1.38 0.01 0.02 0.02 13 G H H 47.41 1.29 14.41 14.98 92.36 51.74 -64.30 -40.24 6.17 0.03 93.79 1.06 0.79 4.26 92.23 1.61 0.02 0.01 0.02 14 E H H 95.34 3.04 14.01 17.89 92.40 49.10 -66.69 -39.74 2.89 0.03 97.08 0.91 0.38 1.61 95.68 1.39 0.00 0.01 0.01 15 A H H 37.28 5.98 11.67 20.01 91.94 52.74 -63.71 -41.62 1.30 0.01 98.69 0.48 0.15 0.59 98.28 0.49 0.00 0.00 0.00 16 K H H 119.56 2.03 15.78 17.75 91.74 50.15 -64.65 -40.99 1.10 0.01 98.90 0.26 0.10 0.61 98.72 0.30 0.00 0.00 0.00 17 E H H 104.14 1.77 15.75 16.95 91.89 50.31 -64.67 -41.37 1.17 0.01 98.82 0.22 0.10 0.72 98.70 0.26 0.00 0.00 0.00 18 F H H 108.15 3.04 14.83 18.57 92.03 49.48 -64.47 -41.53 0.86 0.00 99.14 0.16 0.07 0.49 99.11 0.16 0.00 0.00 0.00 19 H H H 101.03 3.49 14.38 18.98 91.79 50.43 -64.66 -40.33 0.65 0.00 99.35 0.11 0.04 0.38 99.34 0.13 0.00 0.00 0.00 20 K H H 123.95 1.72 15.45 16.84 91.85 50.77 -65.06 -40.39 0.78 0.00 99.22 0.10 0.05 0.52 99.19 0.15 0.00 0.00 0.00 21 I H H 99.73 1.89 15.13 16.73 92.00 49.48 -64.83 -41.86 0.57 0.00 99.43 0.07 0.03 0.37 99.42 0.11 0.00 0.00 0.00 22 F H H 115.32 2.71 14.63 17.94 92.28 48.98 -65.23 -41.13 0.38 0.00 99.62 0.06 0.02 0.22 99.62 0.07 0.00 0.00 0.00 23 T H H 73.48 2.45 15.02 17.82 91.92 49.42 -64.54 -41.18 0.36 0.00 99.64 0.05 0.02 0.22 99.64 0.07 0.00 0.00 0.00 24 S H H 61.21 1.87 15.68 17.15 92.01 50.16 -64.73 -41.00 0.43 0.00 99.57 0.04 0.02 0.28 99.58 0.08 0.00 0.00 0.00 25 S H H 56.26 2.61 14.70 17.89 92.05 50.75 -64.98 -41.05 0.47 0.00 99.53 0.05 0.02 0.31 99.55 0.07 0.00 0.00 0.00 26 I H H 90.86 3.03 14.58 18.40 92.20 50.13 -65.01 -40.90 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 27 L H H 97.87 1.85 15.57 17.10 91.91 50.36 -64.71 -41.13 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 28 V H H 89.69 1.48 15.73 16.30 91.85 49.36 -64.66 -41.86 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 29 F H H 112.70 2.76 14.45 17.92 92.06 49.51 -65.11 -41.54 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 30 F H H 114.41 2.87 15.01 18.48 92.04 49.29 -64.97 -41.34 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 31 G H H 40.84 1.48 16.44 16.80 91.71 49.85 -63.92 -41.99 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 V H H 85.15 1.78 16.58 17.61 92.06 48.79 -64.95 -41.88 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 33 A H H 45.32 4.62 13.88 20.24 91.84 50.49 -64.08 -41.53 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 34 A H H 60.03 2.32 16.16 18.48 91.65 50.16 -63.51 -41.90 0.12 0.00 99.88 0.00 0.00 0.09 99.88 0.03 0.00 0.00 0.00 35 F H H 126.32 1.22 17.38 16.72 91.94 48.95 -64.70 -41.71 0.17 0.00 99.83 0.01 0.00 0.13 99.82 0.04 0.00 0.00 0.00 36 A H H 49.21 3.45 14.54 19.19 91.85 50.17 -64.29 -41.22 0.57 0.00 99.43 0.02 0.01 0.48 99.36 0.12 0.00 0.00 0.00 37 H H H 94.94 4.40 14.05 19.84 91.96 50.08 -64.54 -40.56 2.75 0.00 97.25 0.04 0.05 2.76 96.85 0.29 0.00 0.00 0.00 38 L H H 100.19 1.46 15.52 16.11 92.07 49.95 -64.91 -40.90 2.42 0.00 97.58 0.07 0.09 2.24 97.08 0.51 0.00 0.00 0.00 39 L H H 95.76 1.58 14.68 15.75 92.14 49.71 -65.61 -40.28 2.55 0.00 97.44 0.15 0.14 2.07 94.33 3.29 0.00 0.00 0.00 40 V H H 71.44 3.70 12.08 17.38 92.23 49.45 -66.07 -40.23 2.77 0.00 97.22 0.13 0.12 2.23 89.64 7.88 0.00 0.00 0.00 41 W H H 148.20 2.64 12.14 15.89 92.78 51.35 -66.63 -36.83 3.40 0.00 96.60 0.15 0.14 2.82 85.29 11.60 0.00 0.00 0.00 42 I H H 122.67 1.13 12.69 13.36 93.65 50.40 -71.16 -32.44 12.79 0.01 87.20 0.39 0.48 11.72 77.82 9.56 0.01 0.00 0.01 43 W H H 172.30 1.76 11.28 13.51 98.24 46.12 -85.82 -17.63 33.61 0.16 66.23 2.69 4.06 26.66 58.75 7.52 0.10 0.06 0.16 44 R C C 117.06 5.30 8.74 15.73 106.11 81.44 -97.89 80.79 73.89 1.78 24.33 38.34 21.47 14.55 8.15 15.38 0.01 0.71 1.40 45 P C T 100.10 2.43 10.15 14.15 95.08 141.89 -68.75 -19.74 76.08 0.76 23.17 11.35 9.14 55.19 4.00 19.45 0.01 0.40 0.47 46 W C T 203.93 1.06 11.18 12.09 96.85 55.24 -87.13 -5.45 74.43 1.06 24.51 8.65 11.14 54.42 3.66 20.94 0.01 0.58 0.61 47 V C S 81.69 4.64 7.75 14.52 115.86 89.80 -97.43 128.32 92.97 3.08 3.95 29.55 58.44 5.23 1.23 2.26 0.00 1.24 2.05 48 P C C 102.99 2.13 10.60 14.07 111.63 -123.27 -70.86 140.30 95.85 2.98 1.17 64.22 24.92 6.59 0.30 0.93 0.00 1.39 1.65 49 G C C 37.99 4.29 9.97 16.06 127.98 -106.98 96.55 177.53 95.61 2.44 1.95 66.34 24.20 4.67 0.57 1.40 0.00 0.91 1.91 50 P C T 110.00 2.07 10.46 13.56 97.99 -63.57 -67.45 -22.04 80.37 0.88 18.75 21.56 16.66 42.13 2.37 16.29 0.00 0.41 0.58 51 N C T 129.50 1.22 10.59 12.21 98.99 45.66 -82.91 11.59 77.84 0.78 21.38 11.99 14.64 50.78 2.78 18.87 0.00 0.39 0.55 52 G C C 47.04 4.37 9.46 15.52 103.62 -104.29 80.64 2.82 76.46 1.88 21.66 30.17 17.28 29.25 2.74 18.64 0.00 0.88 1.04 53 Y C C 148.27 4.58 8.79 14.98 106.51 84.39 -93.45 49.65 87.07 3.15 9.78 73.48 2.82 11.65 2.21 6.43 0.00 1.83 1.58 54 S C C 76.47 3.45 12.61 17.65 112.59 110.83 -93.37 136.26 99.75 0.23 0.02 99.66 0.12 0.05 0.01 0.00 0.00 0.12 0.03