# 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 M C C 121.31 3.86 10.03 15.75 117.74 -143.17 -93.38 138.59 99.91 0.08 0.01 99.79 0.14 0.02 0.00 0.00 0.00 0.03 0.01 1 P C C 99.49 2.68 8.81 13.31 113.53 -106.77 -67.05 148.53 89.18 0.91 9.90 84.52 0.94 6.03 3.19 4.40 0.00 0.49 0.44 2 S C C 91.62 1.66 7.69 10.94 109.26 -113.17 -79.91 130.76 81.59 2.35 16.06 47.24 15.63 18.99 5.13 10.63 0.01 1.21 1.18 3 H C C 158.88 1.29 8.46 10.84 108.63 -104.83 -91.72 92.22 75.21 3.91 20.88 44.56 16.99 13.99 9.33 11.18 0.02 2.02 1.91 4 K C C 116.33 4.97 7.36 14.24 116.88 118.78 -93.25 140.81 82.76 3.16 14.08 58.38 20.51 3.81 11.19 3.11 0.00 1.37 1.63 5 S C C 60.20 2.38 10.47 14.09 118.59 -119.49 -78.10 159.92 84.94 2.94 12.13 76.47 5.85 1.93 11.83 1.21 0.00 1.15 1.55 6 F H H 159.12 1.33 10.10 12.19 92.30 -110.23 -60.04 -37.60 3.41 0.03 96.56 1.46 0.67 1.19 96.31 0.36 0.00 0.01 0.01 7 R H H 157.66 1.09 12.09 12.92 92.05 52.19 -64.97 -40.23 1.66 0.01 98.33 0.50 0.21 0.84 98.10 0.34 0.00 0.00 0.00 8 T H H 62.69 3.21 11.66 16.48 92.22 48.63 -65.33 -41.02 0.87 0.01 99.12 0.28 0.10 0.43 98.87 0.31 0.00 0.00 0.00 9 K H H 109.94 3.00 13.08 17.22 91.92 50.82 -64.40 -40.68 0.42 0.00 99.58 0.13 0.04 0.19 99.51 0.12 0.00 0.00 0.00 10 Q H H 105.47 1.65 14.82 16.06 91.97 50.12 -64.66 -40.92 0.42 0.00 99.58 0.09 0.03 0.22 99.58 0.07 0.00 0.00 0.00 11 K H H 116.27 2.03 14.90 16.95 91.98 49.81 -64.79 -41.23 0.46 0.00 99.53 0.08 0.03 0.27 99.55 0.07 0.00 0.00 0.00 12 L H H 84.65 3.15 13.85 18.02 92.13 49.78 -64.68 -40.76 0.51 0.00 99.49 0.09 0.03 0.29 99.48 0.10 0.00 0.00 0.00 13 A H H 55.82 2.23 14.37 16.97 91.60 50.74 -63.78 -41.06 0.91 0.00 99.09 0.15 0.06 0.57 99.06 0.16 0.00 0.00 0.00 14 K H H 122.35 1.58 14.86 15.99 92.18 50.06 -65.26 -40.01 1.58 0.00 98.41 0.23 0.11 1.06 98.26 0.34 0.00 0.00 0.00 15 A H H 53.61 3.09 12.68 17.07 92.28 51.54 -65.19 -39.30 3.08 0.01 96.91 0.42 0.24 2.16 96.21 0.96 0.00 0.00 0.00 16 A H H 67.14 2.40 12.72 15.94 92.16 52.74 -66.05 -34.44 11.17 0.05 88.79 1.10 0.79 8.81 87.46 1.78 0.02 0.02 0.02 17 R H H 158.95 1.73 12.32 14.46 94.10 53.36 -73.88 -23.35 31.16 0.27 68.56 5.08 2.83 23.08 65.81 2.88 0.04 0.12 0.16 18 Q C H 120.73 2.79 10.43 14.74 97.79 71.87 -72.83 -19.64 56.90 0.81 42.28 10.80 7.76 37.84 39.41 3.33 0.06 0.33 0.48 19 N C T 125.83 1.56 10.80 13.10 99.83 51.08 -90.29 15.87 79.11 1.06 19.83 23.89 12.22 43.40 15.92 3.55 0.01 0.46 0.56 20 R C C 143.36 2.90 9.47 14.34 119.41 123.41 -96.25 139.83 96.99 2.66 0.35 54.38 42.29 0.80 0.19 0.13 0.00 1.25 0.96 21 P C C 107.41 1.81 11.48 14.46 114.45 -104.03 -67.66 146.24 90.54 9.07 0.39 85.54 4.45 0.54 0.21 0.14 0.00 3.39 5.72 22 I C C 95.67 7.39 7.57 16.48 115.59 -112.33 -84.19 136.86 95.71 3.51 0.77 86.03 8.93 0.79 0.51 0.24 0.00 1.83 1.67 23 P C C 73.81 4.15 10.91 16.79 112.63 -105.31 -64.92 143.67 91.22 3.32 5.47 81.84 5.70 3.88 3.60 1.70 0.00 2.19 1.09 24 Q C H 139.58 1.99 10.89 14.30 93.32 -129.61 -65.78 -29.12 50.57 8.38 41.05 13.12 20.18 18.80 26.16 12.76 0.63 6.63 1.73 25 W H H 170.35 2.50 11.41 14.83 93.74 63.39 -71.02 -23.55 28.82 29.55 41.63 10.62 8.53 12.47 27.30 12.55 0.85 25.82 1.85 26 I E E 78.56 6.65 9.55 17.85 99.38 58.88 -83.94 -12.63 10.82 53.82 35.37 7.20 2.26 2.68 27.51 6.72 0.08 52.62 0.93 27 R E E 125.89 5.26 11.03 17.86 103.20 77.21 -81.13 -13.86 7.80 73.56 18.65 5.33 1.19 1.35 17.55 2.61 0.01 71.31 0.65 28 L E E 100.72 3.77 10.24 15.62 111.24 62.84 -94.09 121.28 8.11 83.62 8.27 5.91 1.08 1.09 8.24 1.45 0.00 81.48 0.73 29 R E E 147.82 3.60 8.79 14.23 111.87 115.43 -93.27 123.80 20.53 72.66 6.81 14.10 3.66 3.06 5.43 1.87 0.01 70.93 0.94 30 T E E 98.22 2.17 8.91 12.30 114.08 22.77 -119.09 111.35 39.76 51.62 8.62 11.48 10.53 21.35 4.94 3.36 0.08 46.20 2.06 31 G C T 65.83 0.50 10.99 10.46 102.88 -45.74 62.51 -83.67 96.91 0.61 2.48 4.51 15.22 77.57 0.68 1.43 0.00 0.43 0.17 32 N C T 135.22 1.27 9.59 11.62 99.24 -17.94 -95.78 11.40 97.66 1.11 1.23 5.97 22.96 68.96 0.16 0.91 0.00 0.88 0.17 33 T E E 84.13 2.49 10.53 14.67 121.14 101.52 -105.28 140.67 23.72 76.09 0.19 19.16 4.39 0.58 0.06 0.12 0.00 74.01 1.67 34 V E E 80.84 7.38 8.24 17.36 118.73 -149.25 -107.41 131.51 9.85 90.08 0.08 9.19 0.54 0.09 0.04 0.03 0.00 89.41 0.70 35 H E E 112.68 3.44 13.42 18.54 122.53 -168.19 -118.20 140.09 11.38 88.48 0.13 10.40 0.79 0.15 0.08 0.05 0.00 87.97 0.57 36 Y E E 126.10 7.68 9.88 19.12 119.06 -145.82 -103.99 136.78 28.90 70.26 0.83 25.61 2.62 0.57 0.56 0.34 0.00 68.48 1.82 37 N C C 71.96 5.16 11.07 18.27 112.37 -157.70 -107.95 114.61 84.17 12.65 3.18 76.97 5.23 1.57 1.86 1.29 0.00 12.01 1.07 38 M C T 126.83 3.62 9.99 15.45 95.19 -164.98 -70.26 -23.01 58.93 2.07 39.00 18.33 13.07 27.47 19.40 19.63 0.06 1.19 0.85 39 K C T 157.77 1.02 11.82 12.80 93.71 65.48 -72.72 -20.34 57.28 1.64 41.08 14.99 13.30 28.80 21.49 19.59 0.09 0.84 0.90 40 R C C 132.07 4.37 9.31 15.35 100.47 58.79 -90.26 11.36 54.16 2.06 43.77 29.59 11.68 13.00 23.99 19.70 0.03 1.05 0.96 41 R C C 133.75 5.27 9.57 16.53 102.96 104.50 -75.15 0.29 55.91 1.75 42.34 37.02 9.54 9.60 31.83 10.31 0.01 0.91 0.77 42 H C C 128.09 2.65 11.12 14.94 104.21 71.26 -92.61 55.08 54.99 2.15 42.86 36.47 7.95 10.99 30.95 11.55 0.02 1.20 0.88 43 W H H 148.60 4.45 9.16 15.39 104.60 101.11 -81.52 31.51 48.34 1.91 49.74 28.11 8.18 12.72 33.73 15.42 0.02 1.06 0.76 44 R H H 150.23 2.97 9.82 14.33 106.27 72.21 -81.62 74.75 48.77 1.99 49.24 27.46 8.54 13.70 35.46 12.93 0.03 1.09 0.80 45 R C H 155.16 2.88 9.33 13.75 103.69 67.51 -83.69 7.69 50.60 1.86 47.54 27.97 10.73 12.69 35.19 11.64 0.03 0.93 0.81 46 T C H 89.90 3.17 8.33 13.17 106.12 79.16 -87.33 18.07 54.91 1.63 43.46 30.25 10.87 13.98 32.19 11.13 0.03 0.83 0.73 47 K C C 155.51 1.56 8.94 11.61 101.19 -121.32 -80.88 -5.96 60.21 2.29 37.50 30.44 12.26 18.02 25.78 11.24 0.04 1.19 1.04 48 L C C 116.95 2.92 7.54 12.06 102.37 76.86 -86.03 8.70 69.67 2.69 27.63 34.01 14.57 21.83 17.27 9.65 0.03 1.41 1.22 49 N C C 130.75 1.43 9.85 12.39 102.49 -124.78 12.02 40.08 88.18 1.94 9.89 66.52 3.57 19.15 5.60 3.11 0.00 1.19 0.86 50 I C C 105.71 5.23 9.43 16.26 106.17 144.12 -87.66 50.42 99.81 0.15 0.04 99.66 0.14 0.08 0.02 0.00 0.00 0.08 0.02