# 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 117.17 4.35 9.93 16.12 117.72 -146.38 -94.93 138.69 99.91 0.07 0.01 99.78 0.14 0.03 0.01 0.00 0.00 0.03 0.01 1 P C C 96.68 2.73 8.74 13.20 112.86 -108.08 -68.29 148.78 84.43 0.82 14.75 79.60 1.04 6.70 6.63 5.18 0.00 0.43 0.43 2 S C C 92.88 1.43 7.95 10.72 104.55 -119.69 -77.81 -0.18 71.01 1.62 27.37 36.61 14.53 20.17 13.31 13.65 0.01 0.75 0.96 3 H C C 150.93 1.61 8.15 11.09 106.91 57.20 -90.68 62.09 63.00 2.44 34.55 34.93 13.93 14.45 20.80 13.41 0.04 1.16 1.29 4 K C C 120.75 4.33 7.94 14.17 112.69 117.11 -89.25 132.05 66.51 2.23 31.26 47.96 13.27 5.51 26.20 5.04 0.01 1.00 1.02 5 T C C 74.78 2.60 10.10 14.04 117.10 -131.06 -85.12 159.71 64.61 2.03 33.36 54.83 6.18 3.02 32.57 1.71 0.00 0.77 0.91 6 F H H 154.04 1.38 10.35 12.34 93.11 -110.17 -61.26 -39.18 3.71 0.04 96.25 1.69 0.73 1.24 95.90 0.41 0.00 0.01 0.01 7 R H H 154.52 1.15 12.05 12.99 91.90 52.30 -64.92 -40.13 1.76 0.02 98.22 0.59 0.24 0.86 97.92 0.37 0.00 0.01 0.00 8 I H H 81.33 3.03 11.68 16.18 92.23 48.42 -65.66 -41.31 0.92 0.01 99.07 0.29 0.11 0.46 98.83 0.30 0.00 0.00 0.00 9 K H H 111.89 2.66 13.20 16.83 91.83 50.80 -64.08 -40.74 0.54 0.00 99.45 0.17 0.06 0.26 99.38 0.14 0.00 0.00 0.00 10 Q H H 105.13 1.58 14.70 15.80 91.83 49.81 -64.76 -40.81 0.56 0.00 99.43 0.13 0.05 0.31 99.42 0.09 0.00 0.00 0.00 11 K H H 113.76 2.00 14.69 16.71 91.99 49.61 -64.79 -41.37 0.54 0.00 99.45 0.11 0.04 0.30 99.45 0.08 0.00 0.00 0.00 12 L H H 84.74 2.92 13.84 17.69 92.20 49.91 -64.64 -40.91 0.50 0.00 99.50 0.09 0.03 0.29 99.49 0.10 0.00 0.00 0.00 13 A H H 55.19 2.08 14.26 16.66 91.50 50.86 -63.50 -41.19 0.80 0.00 99.20 0.13 0.05 0.50 99.17 0.14 0.00 0.00 0.00 14 K H H 120.90 1.53 14.76 15.77 92.22 50.09 -65.17 -40.22 1.31 0.00 98.69 0.18 0.09 0.87 98.59 0.26 0.00 0.00 0.00 15 A H H 53.30 3.02 12.47 16.81 92.17 51.63 -64.83 -39.85 2.47 0.01 97.52 0.33 0.18 1.71 97.08 0.69 0.00 0.00 0.00 16 Q H H 113.19 2.05 13.01 15.59 92.29 51.73 -66.09 -36.12 8.06 0.03 91.91 0.90 0.62 6.07 91.00 1.36 0.01 0.01 0.01 17 K H H 139.64 1.61 12.28 14.23 93.47 53.20 -70.47 -28.97 24.66 0.19 75.15 4.28 2.40 17.81 72.85 2.45 0.04 0.08 0.11 18 Q C H 122.44 2.42 10.69 14.40 96.21 64.66 -74.17 -20.68 51.77 0.56 47.67 10.17 6.98 34.42 44.84 2.98 0.05 0.22 0.34 19 N C T 120.79 1.89 10.57 13.46 99.26 55.91 -90.06 13.10 76.64 0.82 22.54 24.61 11.97 40.40 18.91 3.29 0.01 0.32 0.49 20 R C C 142.47 2.89 9.54 14.42 117.87 116.12 -94.17 138.69 97.61 1.83 0.56 55.68 41.20 1.05 0.34 0.18 0.00 0.68 0.87 21 P C C 106.73 1.83 11.60 14.62 114.25 -103.86 -67.63 146.87 94.00 5.39 0.61 87.36 5.64 0.71 0.38 0.19 0.00 1.93 3.79 22 I C C 93.93 7.22 7.58 16.41 115.33 -109.63 -82.20 137.70 95.89 2.28 1.83 84.69 10.28 0.92 1.56 0.32 0.00 0.99 1.24 23 P C C 72.30 3.95 10.95 16.72 111.86 -105.56 -63.60 141.14 89.49 1.98 8.53 84.07 3.12 2.22 7.84 0.91 0.00 0.99 0.84 24 Q H H 134.25 2.08 10.69 14.26 93.12 -131.55 -62.31 -31.72 24.45 4.22 71.33 9.05 6.99 10.66 58.39 10.21 0.32 3.59 0.78 25 W H H 171.28 1.82 11.34 13.83 92.54 60.95 -66.52 -30.46 14.64 12.08 73.29 6.03 3.30 6.94 60.12 10.85 0.35 11.57 0.85 26 I H H 80.97 5.15 9.86 16.81 96.87 54.45 -74.40 -30.91 7.99 18.73 73.28 4.18 1.51 2.93 62.24 8.87 0.09 19.58 0.60 27 R H H 126.41 4.74 10.39 16.75 98.81 63.41 -75.54 -27.44 9.79 32.43 57.78 5.26 1.63 2.90 53.08 4.77 0.08 31.34 0.93 28 L E E 103.88 3.10 10.06 14.52 105.44 61.58 -87.31 34.26 16.28 52.98 30.74 9.27 2.55 3.97 31.04 3.06 0.07 48.31 1.72 29 R E E 155.65 2.79 8.86 13.31 110.74 81.05 -87.10 123.81 24.75 56.33 18.92 14.49 4.31 5.54 19.16 2.90 0.10 51.19 2.32 30 T E E 93.34 2.63 8.34 12.37 111.17 75.37 -113.03 98.41 39.65 43.42 16.93 14.64 9.43 17.11 14.37 4.07 0.50 36.10 3.77 31 G C T 64.65 0.61 10.67 10.60 102.55 -57.82 63.64 -69.96 94.45 0.78 4.77 8.46 17.30 69.20 2.35 1.89 0.00 0.51 0.28 32 N C T 134.97 1.22 9.20 11.16 100.14 -15.67 -94.54 11.54 96.04 1.21 2.75 9.33 25.04 62.22 0.80 1.47 0.00 0.85 0.28 33 T E E 93.77 1.87 9.98 13.25 119.32 103.47 -103.27 139.30 36.70 61.93 1.37 24.68 11.57 2.92 0.68 0.79 0.01 54.85 4.50 34 I E E 101.85 5.90 7.88 15.68 115.12 -138.14 -95.06 127.65 32.01 66.80 1.19 28.70 2.44 0.75 0.79 0.47 0.00 63.43 3.42 35 R E E 145.05 3.07 12.11 16.94 121.73 -169.63 -114.80 138.18 47.93 50.31 1.76 41.64 4.51 1.29 1.27 0.63 0.00 48.93 1.74 36 Y C C 137.12 5.78 9.91 17.57 120.03 -135.44 -106.24 137.14 58.65 36.90 4.44 48.73 7.19 1.97 3.59 1.31 0.01 33.56 3.65 37 N C C 72.36 5.60 10.23 17.88 112.17 -153.56 -105.87 115.28 87.95 7.45 4.60 81.20 4.90 1.77 3.46 1.22 0.00 6.04 1.41 38 A C H 75.55 3.61 10.33 15.83 94.12 -156.21 -66.61 -23.88 50.92 1.43 47.65 16.85 9.43 24.09 28.01 20.11 0.06 0.83 0.62 39 K H H 155.19 1.12 12.24 13.37 93.13 64.32 -71.23 -22.16 49.01 1.25 49.74 12.50 9.65 26.19 30.63 19.61 0.13 0.64 0.65 40 R H H 125.83 4.69 9.98 16.35 98.01 61.44 -87.12 2.12 45.69 1.54 52.76 24.75 9.82 11.37 34.16 18.39 0.03 0.80 0.68 41 R H H 123.55 5.59 10.27 17.57 97.84 97.72 -68.21 -33.58 43.57 1.09 55.33 30.30 6.73 7.28 47.22 7.45 0.01 0.55 0.46 42 H H H 119.60 2.76 12.22 15.86 97.22 56.00 -74.59 -26.52 35.39 1.15 63.46 22.70 5.33 8.35 52.99 9.54 0.01 0.63 0.45 43 W H H 138.60 3.81 10.63 16.00 97.37 69.68 -71.12 -32.87 26.17 0.88 72.95 12.56 4.56 9.71 58.89 13.43 0.03 0.51 0.31 44 R H H 130.39 3.62 10.59 15.72 97.59 55.85 -72.30 -31.32 25.08 0.97 73.95 12.33 4.33 9.26 61.04 12.09 0.04 0.56 0.34 45 K H H 125.81 3.00 10.29 14.63 96.49 58.02 -71.04 -32.59 27.78 0.93 71.29 12.59 5.76 10.69 59.84 10.20 0.06 0.49 0.37 46 T H H 91.65 2.31 9.90 13.33 99.05 52.26 -79.03 -29.88 34.59 1.01 64.40 13.68 7.58 14.86 54.39 8.44 0.09 0.51 0.46 47 R H H 172.38 1.45 9.67 11.95 96.76 54.60 -74.56 -21.39 45.00 1.39 53.61 15.00 9.88 21.74 43.59 8.29 0.13 0.67 0.70 48 L C T 111.26 3.09 8.27 12.93 98.34 56.08 -82.19 -5.71 62.27 1.59 36.15 15.37 12.19 35.19 28.73 6.82 0.10 0.73 0.86 49 G C C 58.28 1.60 10.95 13.46 99.48 -110.51 75.09 12.34 92.05 0.86 7.09 53.66 3.38 36.01 4.35 1.73 0.00 0.47 0.41 50 L C C 97.06 5.93 10.05 17.54 105.62 131.53 -83.75 55.39 99.84 0.12 0.04 99.67 0.14 0.09 0.02 0.00 0.00 0.06 0.02