# 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 125.55 3.71 9.93 15.42 115.56 -156.48 -95.23 135.46 99.87 0.10 0.03 99.73 0.14 0.05 0.01 0.00 0.00 0.04 0.02 1 G C C 51.38 2.98 8.36 13.07 113.90 -118.80 -78.68 153.10 90.50 1.47 8.03 84.12 1.23 6.71 1.41 5.09 0.00 0.81 0.62 2 R C C 188.98 1.07 8.54 10.44 104.29 -123.61 -83.22 3.80 86.62 2.40 10.97 34.12 23.46 28.85 1.41 9.94 0.00 1.25 0.97 3 F C C 164.10 1.59 7.98 10.95 111.08 54.83 -94.60 114.36 84.01 4.16 11.83 41.21 20.28 22.68 2.03 9.88 0.01 2.16 1.76 4 K C C 112.62 5.02 7.55 14.52 117.97 125.62 -96.18 139.97 95.79 2.85 1.37 66.56 28.53 0.71 1.02 0.36 0.00 1.14 1.67 5 P C C 75.36 2.59 10.67 14.69 116.48 -112.17 -68.91 155.73 94.47 3.23 2.29 92.02 2.08 0.45 2.16 0.22 0.00 1.02 2.05 6 L H H 122.44 1.61 10.29 12.89 92.33 -112.50 -59.15 -37.85 2.15 0.01 97.84 0.68 0.36 0.93 97.72 0.30 0.00 0.00 0.00 7 A H H 70.05 1.38 12.10 13.44 91.77 52.86 -64.59 -40.38 1.04 0.00 98.95 0.20 0.10 0.60 98.77 0.31 0.00 0.00 0.00 8 I H H 79.71 3.10 11.76 16.36 92.15 48.24 -65.61 -41.01 0.40 0.00 99.60 0.09 0.04 0.21 99.40 0.26 0.00 0.00 0.00 9 K H H 107.58 3.08 12.90 17.21 91.81 51.33 -64.13 -41.05 0.20 0.00 99.80 0.04 0.02 0.10 99.76 0.08 0.00 0.00 0.00 10 K H H 123.43 1.42 14.73 15.53 91.69 49.96 -64.55 -41.02 0.31 0.00 99.68 0.04 0.02 0.19 99.70 0.05 0.00 0.00 0.00 11 K H H 112.91 1.95 14.63 16.52 91.96 49.85 -64.84 -41.40 0.50 0.00 99.50 0.06 0.03 0.33 99.52 0.07 0.00 0.00 0.00 12 Y H H 112.81 3.06 13.62 17.67 92.20 49.54 -64.78 -41.00 0.66 0.00 99.34 0.11 0.04 0.41 99.28 0.15 0.00 0.00 0.00 13 A H H 54.54 2.27 13.56 16.53 91.58 51.02 -63.51 -40.95 1.20 0.00 98.80 0.18 0.08 0.80 98.67 0.27 0.00 0.00 0.00 14 K H H 123.33 1.45 14.32 15.25 92.26 50.25 -65.29 -39.78 2.08 0.01 97.91 0.28 0.15 1.47 97.58 0.51 0.00 0.00 0.00 15 K H H 115.47 2.17 13.10 15.76 92.47 51.07 -65.67 -39.61 3.56 0.01 96.43 0.53 0.30 2.47 95.36 1.31 0.00 0.01 0.00 16 L H H 98.41 2.37 12.16 15.43 92.54 51.56 -66.21 -36.63 9.33 0.05 90.61 1.34 0.86 6.78 88.59 2.37 0.02 0.03 0.03 17 K H H 138.06 1.72 11.95 14.21 93.42 53.52 -70.45 -27.03 27.09 0.26 72.65 5.42 2.67 19.02 69.23 3.37 0.04 0.11 0.14 18 Q C H 124.16 2.16 10.64 13.93 95.14 63.54 -74.46 -18.53 53.24 0.61 46.16 8.92 6.83 36.99 42.95 3.64 0.06 0.25 0.37 19 N C T 122.35 1.68 10.50 13.00 99.44 52.89 -90.75 13.37 75.70 0.86 23.44 21.74 12.37 41.79 19.62 3.63 0.01 0.36 0.49 20 R C C 143.31 2.93 9.34 14.29 118.75 110.09 -95.11 137.95 97.26 2.25 0.49 54.72 41.96 0.97 0.29 0.17 0.00 0.93 0.97 21 P C C 104.90 1.97 11.05 14.39 114.40 -105.28 -68.01 146.60 91.69 7.68 0.63 85.07 5.48 0.76 0.37 0.21 0.00 2.82 5.29 22 V C C 88.19 6.18 7.79 15.82 115.28 -110.94 -82.97 137.58 94.08 3.67 2.25 84.09 8.67 1.30 1.78 0.53 0.00 1.84 1.80 23 P C C 75.27 3.95 10.71 16.45 111.97 -105.94 -64.91 142.44 85.41 3.47 11.12 73.93 6.29 4.87 9.22 2.34 0.00 2.25 1.10 24 Y H H 170.83 2.31 10.61 14.42 94.53 -132.62 -66.06 -28.14 42.03 12.33 45.64 18.72 13.76 11.97 34.67 8.51 0.30 10.36 1.71 25 W H H 167.90 2.37 10.91 14.34 94.73 65.19 -71.39 -22.58 23.54 27.03 49.43 11.53 6.15 8.34 37.92 9.59 0.52 24.39 1.56 26 I H E 86.10 5.35 9.58 16.62 98.70 60.13 -82.13 -16.64 12.00 41.37 46.62 7.43 2.43 3.21 38.69 6.95 0.10 40.13 1.04 27 R E E 131.63 4.49 10.66 16.68 101.96 68.51 -84.40 -13.83 10.26 55.18 34.56 6.55 1.66 2.24 31.74 3.96 0.03 52.95 0.88 28 L E E 99.55 3.74 9.69 15.07 112.16 71.64 -93.11 126.32 12.27 69.96 17.77 8.35 1.69 1.97 18.37 2.39 0.02 66.04 1.17 29 R E E 151.74 3.24 8.58 13.65 113.38 -152.26 -97.86 130.09 22.18 66.14 11.68 14.31 4.06 3.98 11.03 2.57 0.03 62.54 1.48 30 T E E 96.62 2.37 8.46 12.16 113.24 133.58 -114.34 109.12 39.28 48.55 12.17 14.28 9.98 17.49 8.83 4.00 0.18 42.58 2.66 31 G C T 65.43 0.55 10.65 10.32 102.70 -53.11 65.47 -74.39 95.79 0.80 3.41 7.31 16.72 72.22 1.28 1.69 0.00 0.55 0.24 32 N C T 134.78 1.29 9.19 11.25 100.23 -19.09 -93.03 9.24 96.66 1.51 1.83 8.60 23.91 64.48 0.36 1.21 0.00 1.20 0.24 33 R E E 153.86 1.82 10.47 13.65 120.69 101.77 -105.48 140.36 28.31 71.20 0.49 21.67 6.76 1.25 0.22 0.32 0.00 66.88 2.91 34 I E E 96.92 6.83 7.79 16.35 116.75 -142.17 -96.92 130.33 18.18 81.60 0.22 16.89 1.09 0.22 0.13 0.09 0.00 80.11 1.46 35 K E E 121.61 3.11 12.79 17.59 123.35 -169.98 -118.49 141.35 25.11 74.52 0.37 22.35 2.10 0.42 0.21 0.16 0.00 73.67 1.08 36 W E E 146.81 6.73 9.33 17.80 118.78 -139.56 -104.23 136.64 41.99 56.66 1.35 36.66 3.85 0.84 0.97 0.54 0.00 54.29 2.85 37 N C C 72.38 5.15 10.34 17.55 113.95 -155.80 -105.81 119.39 87.19 10.61 2.21 81.55 4.38 1.10 1.36 0.80 0.00 9.61 1.21 38 E C T 135.53 2.89 10.10 14.78 94.52 -152.18 -67.94 -24.82 52.28 1.50 46.22 15.15 10.07 26.27 23.05 23.90 0.05 0.87 0.63 39 K C T 155.43 1.05 11.74 12.75 93.60 64.40 -71.75 -24.81 50.17 1.25 48.58 12.18 9.73 27.23 25.49 23.95 0.10 0.66 0.66 40 R H H 125.31 4.75 9.33 15.77 98.91 60.29 -89.07 1.39 46.43 1.70 51.87 24.90 9.61 11.91 27.80 24.15 0.03 0.90 0.70 41 R C H 126.08 5.59 9.61 16.89 101.35 96.33 -71.43 -26.30 50.92 1.50 47.58 33.31 8.74 9.32 35.22 11.99 0.01 0.78 0.62 42 H C H 125.48 2.68 11.07 14.88 102.04 63.18 -85.84 4.83 50.59 1.93 47.48 32.91 7.41 10.95 33.87 13.00 0.02 1.10 0.75 43 W H H 151.18 4.05 9.19 14.94 100.89 77.77 -81.01 -16.45 45.65 1.72 52.63 26.23 7.72 12.38 36.10 15.93 0.02 0.96 0.67 44 R H H 151.32 2.86 9.49 13.90 102.59 68.29 -83.75 1.44 47.35 1.84 50.81 26.55 8.30 13.48 37.13 12.78 0.03 0.99 0.74 45 R C H 157.09 2.61 9.15 13.25 104.58 82.23 -84.40 18.42 51.58 1.72 46.70 28.32 10.92 13.14 35.11 10.89 0.03 0.84 0.76 46 T C C 88.19 3.31 7.95 13.02 110.54 94.19 -91.24 119.36 57.66 1.55 40.78 32.58 11.26 13.92 30.76 9.97 0.02 0.77 0.72 47 K C C 156.20 1.53 8.57 11.25 102.69 -123.88 -83.62 3.19 63.21 2.17 34.62 32.70 13.12 17.72 23.63 10.70 0.03 1.13 0.98 48 L C C 120.61 2.49 7.05 11.17 105.59 91.73 -87.80 39.06 71.15 2.73 26.11 38.47 13.87 19.07 15.87 10.02 0.01 1.49 1.19 49 H C C 156.78 1.45 8.19 10.96 106.00 -144.20 -82.64 77.12 85.10 2.21 12.69 67.31 3.28 15.47 7.58 4.03 0.00 1.36 0.98 50 Y C C 157.96 3.57 9.18 14.47 106.93 105.26 -86.61 74.25 99.83 0.13 0.05 99.61 0.16 0.12 0.02 0.01 0.00 0.06 0.02