# 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 130.17 3.78 9.77 15.12 112.34 159.99 -94.84 127.33 99.91 0.08 0.01 99.85 0.08 0.02 0.00 0.00 0.00 0.04 0.01 1 V C C 108.93 2.72 8.13 12.76 115.79 -136.08 -89.58 137.16 93.56 5.62 0.82 92.36 0.70 1.37 0.35 0.24 0.00 3.52 1.46 2 K C C 164.27 1.13 9.87 12.02 116.05 -137.71 -94.36 135.44 91.11 7.74 1.15 82.51 6.80 1.73 0.59 0.52 0.00 4.93 2.91 3 L C C 88.49 7.61 6.22 14.99 117.26 -126.79 -85.20 142.89 94.96 4.06 0.98 86.15 8.15 0.56 0.73 0.25 0.00 1.87 2.28 4 S C C 61.63 2.00 11.97 14.57 118.28 -113.18 -73.77 161.38 98.81 0.54 0.65 97.49 1.32 0.19 0.50 0.07 0.00 0.19 0.26 5 K H H 161.32 1.15 11.02 12.73 91.93 -103.59 -59.29 -38.61 2.91 0.01 97.08 0.68 0.57 1.50 96.79 0.45 0.00 0.00 0.00 6 E H H 129.51 1.06 12.37 12.98 91.97 51.70 -65.16 -39.73 1.94 0.01 98.05 0.34 0.21 1.22 97.72 0.51 0.00 0.00 0.00 7 A H H 43.27 4.07 11.08 17.27 92.15 49.89 -65.00 -40.29 0.92 0.00 99.08 0.27 0.10 0.48 98.65 0.50 0.00 0.00 0.00 8 K H H 102.22 3.63 12.88 17.89 91.82 51.59 -63.98 -40.72 0.39 0.00 99.61 0.11 0.03 0.18 99.54 0.13 0.00 0.00 0.00 9 Q H H 105.55 1.62 14.96 16.13 91.79 50.12 -64.89 -40.62 0.51 0.00 99.48 0.09 0.03 0.30 99.51 0.06 0.00 0.00 0.00 10 R H H 132.45 1.93 14.98 16.84 91.90 50.36 -64.68 -40.88 0.31 0.00 99.69 0.06 0.02 0.16 99.72 0.04 0.00 0.00 0.00 11 L H H 80.85 3.78 13.86 18.90 92.07 50.26 -64.61 -41.14 0.21 0.00 99.79 0.04 0.01 0.10 99.82 0.03 0.00 0.00 0.00 12 Q H H 97.55 2.69 15.11 18.32 92.01 50.83 -64.39 -40.16 0.22 0.00 99.78 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 13 Q H H 105.12 1.78 15.43 16.83 92.24 50.38 -65.01 -40.77 0.31 0.00 99.69 0.04 0.02 0.19 99.71 0.05 0.00 0.00 0.00 14 L H H 91.24 2.52 14.86 17.79 92.32 49.79 -64.95 -41.60 0.56 0.00 99.44 0.06 0.03 0.37 99.42 0.11 0.00 0.00 0.00 15 F H H 111.27 3.60 14.27 18.80 92.31 49.18 -65.44 -40.41 1.46 0.00 98.54 0.19 0.10 1.01 98.36 0.34 0.00 0.00 0.00 16 K H H 129.82 2.02 15.44 17.61 92.14 50.89 -65.38 -39.01 5.75 0.01 94.24 0.34 0.29 4.93 93.72 0.70 0.00 0.00 0.00 17 G H H 42.28 2.11 14.97 17.09 93.01 49.96 -67.05 -37.19 15.91 0.03 84.06 0.95 1.11 13.54 83.32 1.03 0.02 0.01 0.02 18 S H H 55.31 4.08 13.74 19.08 94.39 52.88 -69.25 -33.65 30.79 0.32 68.88 11.86 5.27 13.77 66.99 1.80 0.02 0.13 0.17 19 Q H H 95.98 4.30 14.01 19.49 93.28 61.80 -65.74 -39.98 16.05 0.76 83.19 7.71 2.90 6.76 78.01 3.89 0.04 0.50 0.19 20 F H H 118.70 2.55 15.12 18.01 93.70 51.23 -66.30 -40.37 11.02 1.51 87.48 4.74 1.93 5.46 80.87 5.27 0.09 1.40 0.23 21 A H H 58.62 3.22 13.73 18.03 93.40 50.90 -65.84 -40.32 7.43 1.85 90.73 3.23 1.23 3.62 83.34 6.40 0.06 1.94 0.18 22 I H H 94.68 4.15 13.44 18.73 94.64 48.99 -68.79 -39.00 8.30 2.04 89.66 2.89 1.42 4.70 80.72 7.87 0.15 2.01 0.25 23 R H H 149.14 2.60 13.91 17.20 94.00 50.76 -68.40 -34.17 13.95 1.08 84.97 2.40 1.69 9.97 76.44 8.08 0.25 0.93 0.24 24 W H H 164.10 2.39 13.58 16.45 98.63 38.84 -89.13 -14.96 34.78 0.93 64.29 3.39 3.79 27.20 57.49 6.74 0.43 0.51 0.46 25 G C T 34.99 5.58 12.91 19.99 103.86 51.56 -68.75 -42.10 63.85 0.50 35.65 8.07 5.57 48.30 33.97 3.51 0.07 0.23 0.28 26 F H H 115.77 4.66 13.89 19.55 96.25 39.29 -73.81 -31.21 27.97 0.41 71.62 7.63 4.89 16.51 67.68 2.82 0.07 0.17 0.23 27 I H H 90.91 3.79 14.52 19.36 93.69 57.27 -65.52 -41.33 7.19 0.10 92.72 1.79 1.17 4.24 90.66 2.04 0.02 0.05 0.03 28 P H H 63.48 4.32 14.38 20.19 93.01 51.57 -64.84 -38.52 6.11 0.12 93.77 2.00 0.68 3.42 90.87 2.91 0.01 0.08 0.03 29 L H H 76.01 5.39 14.26 21.11 92.72 51.91 -65.75 -39.55 1.78 0.05 98.17 0.41 0.21 1.10 95.06 3.18 0.01 0.04 0.01 30 V H H 69.84 5.58 13.69 20.70 92.61 50.80 -65.92 -40.71 1.33 0.08 98.59 0.28 0.15 0.87 95.60 3.01 0.01 0.07 0.01 31 I H H 100.10 3.72 14.29 19.12 93.19 48.93 -67.34 -39.13 2.71 0.10 97.20 0.32 0.22 2.14 93.50 3.70 0.02 0.08 0.01 32 Y H H 145.50 3.35 13.91 18.25 94.75 46.17 -75.12 -30.73 9.40 0.15 90.44 0.59 0.63 8.43 86.97 3.15 0.08 0.09 0.05 33 L C H 93.14 5.50 12.70 19.47 96.44 54.58 -83.96 -6.62 51.79 0.63 47.58 2.78 4.29 43.08 46.06 2.99 0.15 0.29 0.37 34 G C T 44.28 4.20 15.14 20.46 101.88 -109.42 82.53 10.66 91.30 0.70 8.00 19.47 5.39 65.71 7.60 1.15 0.00 0.42 0.25 35 F C C 93.14 9.95 10.05 21.14 116.75 151.21 -85.86 138.20 86.80 11.03 2.17 76.00 7.43 2.65 1.41 0.83 0.00 6.66 5.02 36 K C C 127.98 3.72 14.01 19.47 122.56 -165.99 -116.89 141.21 69.27 29.52 1.21 62.52 4.03 1.14 0.77 0.51 0.00 14.70 16.32 37 R C C 156.83 4.38 10.42 17.04 116.09 -124.55 -90.04 136.71 81.77 17.26 0.97 68.43 9.80 2.28 0.42 0.63 0.00 11.58 6.85 38 G C C 35.20 5.14 8.57 15.60 128.06 -157.09 -113.00 171.27 95.36 4.15 0.49 69.72 20.90 4.61 0.11 0.47 0.00 2.53 1.66 39 A C S 102.43 0.57 10.29 10.27 93.58 -92.04 -70.91 -23.40 99.27 0.53 0.20 10.30 85.11 3.99 0.02 0.14 0.00 0.25 0.19 40 D C S 98.94 2.19 8.36 12.20 112.95 74.28 -97.35 121.45 98.46 1.35 0.19 20.98 75.86 1.59 0.04 0.12 0.00 0.43 0.98 41 P C T 118.62 1.30 8.76 11.29 107.97 -116.23 -65.21 134.04 98.83 0.36 0.81 2.95 8.75 86.89 0.04 0.99 0.00 0.21 0.17 42 G C T 65.13 0.70 10.96 11.15 98.50 22.30 81.93 -2.53 98.97 0.46 0.57 3.81 11.06 83.91 0.03 0.75 0.00 0.33 0.12 43 M C S 98.49 4.71 8.06 14.81 117.99 97.83 -100.82 135.64 95.34 4.51 0.16 41.14 54.10 0.44 0.04 0.09 0.00 1.37 2.82 44 P C C 79.15 3.92 10.65 16.36 117.31 -110.98 -67.89 154.22 96.00 3.91 0.09 90.26 5.31 0.26 0.03 0.05 0.00 1.45 2.63 45 E C C 135.79 2.54 13.61 17.51 115.29 -100.74 -70.42 144.97 98.19 1.73 0.08 91.68 6.44 0.21 0.03 0.03 0.00 0.70 0.91 46 P C C 64.92 9.89 9.59 20.57 114.55 -103.27 -66.02 147.36 96.01 3.54 0.45 92.12 3.28 0.35 0.28 0.11 0.00 1.13 2.72 47 T C C 62.66 4.62 13.26 19.42 122.13 -138.25 -94.25 161.72 89.78 8.53 1.69 82.16 4.87 0.41 1.52 0.22 0.00 1.64 9.18 48 V H H 101.72 3.63 11.44 16.81 92.44 -111.29 -60.38 -35.40 12.32 0.31 87.38 3.05 2.38 7.62 77.46 9.08 0.11 0.17 0.14 49 L H H 110.03 2.12 12.19 15.09 92.19 55.21 -66.22 -37.06 7.15 0.23 92.62 1.81 0.86 4.41 79.35 13.31 0.03 0.15 0.07 50 S H H 55.10 4.84 10.41 17.08 93.26 54.30 -68.49 -33.82 4.26 0.14 95.60 1.36 0.55 2.31 78.53 17.10 0.01 0.10 0.03 51 L H H 95.45 4.82 9.86 16.23 94.35 54.87 -70.22 -34.73 7.06 0.15 92.78 1.49 0.86 4.46 77.90 15.10 0.03 0.11 0.04 52 L H H 123.05 1.78 10.05 12.79 96.71 51.94 -77.55 -25.89 24.32 0.80 74.88 4.08 3.12 17.58 64.85 9.22 0.28 0.49 0.37 53 W C H 186.14 2.01 8.84 12.08 101.56 53.49 -88.34 0.69 54.77 2.03 43.21 28.59 2.57 23.72 39.99 3.01 0.03 0.92 1.18 54 G C C 48.53 3.68 11.82 16.99 110.76 -110.03 72.10 145.77 99.90 0.08 0.02 99.74 0.09 0.10 0.01 0.00 0.00 0.04 0.01