# 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 125.42 4.03 9.82 15.62 115.57 -164.24 -96.68 133.34 99.84 0.13 0.03 99.76 0.09 0.05 0.01 0.00 0.00 0.05 0.02 1 A C C 80.17 2.95 7.99 12.77 113.62 -146.84 -90.43 135.95 87.77 2.50 9.73 83.26 1.18 4.93 4.69 3.41 0.00 1.35 1.18 2 N C C 129.50 1.40 8.33 10.87 108.53 -141.09 -87.99 105.76 77.55 2.84 19.61 49.73 14.49 13.52 8.74 10.67 0.00 1.56 1.28 3 H C C 131.92 3.41 6.91 12.07 111.72 127.36 -96.25 110.43 69.16 2.52 28.32 46.72 11.09 11.09 12.54 16.04 0.00 1.36 1.15 4 L C C 115.75 3.08 8.89 13.68 109.48 -134.08 -83.22 121.48 57.34 1.94 40.72 39.09 8.11 9.89 15.71 25.35 0.00 1.12 0.72 5 K C C 150.97 2.12 9.46 13.00 107.85 -124.64 -84.58 89.17 56.48 2.33 41.19 30.38 10.60 15.58 16.49 24.69 0.03 1.29 0.93 6 F C C 138.33 4.31 8.37 14.35 109.24 63.89 -92.75 84.53 58.73 5.20 36.07 33.31 11.48 14.45 15.62 20.18 0.06 3.13 1.77 7 I C C 120.93 3.37 9.75 14.76 107.71 121.30 -89.97 102.48 69.47 9.45 21.07 43.89 14.54 11.03 13.56 7.83 0.08 6.24 2.84 8 A C C 78.18 3.82 10.17 15.72 114.60 -12.42 -95.92 134.11 79.04 10.42 10.54 52.10 14.99 12.10 5.44 4.72 0.02 9.42 1.23 9 R C C 143.37 5.04 11.31 18.11 118.74 -153.24 -103.94 133.53 68.49 26.70 4.81 51.09 12.00 4.15 1.94 2.42 0.01 27.40 1.00 10 T E E 86.90 5.79 11.78 19.55 122.26 -157.94 -114.64 136.92 26.03 72.94 1.02 23.74 1.76 0.48 0.62 0.38 0.00 71.81 1.22 11 V E E 67.60 9.14 11.60 22.34 122.88 -166.35 -120.50 133.71 15.73 83.95 0.32 15.15 0.66 0.15 0.21 0.10 0.00 83.04 0.68 12 M E E 123.09 3.25 15.75 20.09 114.65 -137.29 -90.55 129.59 19.86 79.85 0.29 19.32 0.67 0.17 0.17 0.11 0.00 78.80 0.76 13 V C C 50.87 12.97 8.29 21.66 119.94 -164.43 -112.53 132.78 52.55 47.02 0.44 50.83 1.15 0.24 0.23 0.15 0.00 46.19 1.20 14 Q C C 125.53 2.38 12.81 16.32 117.52 -164.20 -106.13 132.71 66.11 28.93 4.96 43.69 13.29 9.62 1.28 3.84 0.01 25.94 2.33 15 E C T 164.66 0.88 13.21 13.65 97.62 -12.23 37.28 57.83 91.09 1.32 7.59 3.81 16.75 70.43 1.02 6.66 0.00 0.86 0.47 16 G C T 56.14 2.71 12.91 16.66 97.85 -25.04 80.91 0.06 91.75 0.99 7.26 8.97 21.40 61.18 1.03 6.43 0.00 0.58 0.40 17 N C C 83.34 4.29 14.26 19.89 107.25 115.13 -100.25 92.19 93.09 2.81 4.09 88.01 3.78 1.72 2.67 1.12 0.00 1.21 1.49 18 V H H 57.51 12.79 10.99 24.30 94.78 169.67 -66.86 -37.12 7.20 0.11 92.69 4.49 1.08 2.01 91.46 0.87 0.00 0.05 0.04 19 E H H 122.30 2.53 17.99 20.75 91.78 54.88 -63.09 -40.89 2.10 0.02 97.88 0.52 0.22 1.22 97.08 0.95 0.00 0.01 0.00 20 G H H 31.03 2.88 18.40 21.46 91.55 50.05 -64.08 -40.93 1.10 0.01 98.88 0.25 0.10 0.63 97.90 1.11 0.00 0.01 0.00 21 A H H 19.36 12.34 14.04 27.98 91.98 51.81 -63.67 -42.44 0.84 0.01 99.15 0.22 0.08 0.43 98.61 0.65 0.00 0.00 0.00 22 Y H H 90.92 9.95 17.40 27.86 91.77 50.48 -63.67 -41.45 0.65 0.01 99.34 0.14 0.06 0.33 99.32 0.15 0.00 0.00 0.00 23 R H H 143.58 1.79 20.71 21.34 91.66 50.49 -64.30 -41.46 0.45 0.00 99.55 0.09 0.03 0.22 99.62 0.04 0.00 0.00 0.00 24 T H H 58.58 5.02 19.01 24.72 91.85 49.45 -64.88 -42.03 0.28 0.00 99.72 0.05 0.02 0.13 99.78 0.03 0.00 0.00 0.00 25 L H H 37.72 14.12 15.85 30.61 91.76 49.79 -64.24 -41.75 0.20 0.00 99.80 0.02 0.01 0.10 99.84 0.02 0.00 0.00 0.00 26 N H H 68.78 7.44 17.73 26.16 91.48 51.06 -63.65 -40.68 0.24 0.00 99.76 0.03 0.01 0.13 99.81 0.02 0.00 0.00 0.00 27 R H H 134.15 1.75 20.13 20.41 91.87 50.35 -64.32 -41.61 0.36 0.00 99.64 0.05 0.02 0.19 99.71 0.03 0.00 0.00 0.00 28 I H H 58.86 6.79 17.17 25.38 91.95 49.06 -64.53 -42.35 0.39 0.00 99.61 0.05 0.04 0.21 99.66 0.04 0.00 0.00 0.00 29 L H H 34.74 12.21 12.86 26.38 92.46 48.78 -64.93 -41.09 0.87 0.01 99.12 0.17 0.09 0.49 99.15 0.10 0.00 0.00 0.00 30 T H H 80.92 3.48 15.26 19.66 92.51 49.48 -65.59 -40.29 2.29 0.01 97.69 0.31 0.16 1.64 97.58 0.30 0.00 0.01 0.00 31 M H H 139.64 1.12 15.44 15.76 92.18 51.08 -67.23 -32.96 7.38 0.01 92.61 0.23 0.32 6.86 92.26 0.31 0.01 0.00 0.01 32 D C T 82.78 4.65 12.77 18.86 94.43 47.70 -87.64 -3.21 75.62 0.03 24.36 0.44 2.05 71.11 25.84 0.53 0.00 0.01 0.03 33 G C T 42.79 3.88 14.91 20.17 95.87 -113.31 79.30 12.04 97.87 0.02 2.11 3.35 3.70 90.51 2.26 0.16 0.00 0.01 0.01 34 L H H 54.38 8.19 13.32 23.60 94.84 125.79 -70.87 -34.39 10.80 0.06 89.14 8.06 1.13 1.65 88.46 0.66 0.00 0.02 0.02 35 I H H 59.93 9.82 13.97 24.96 92.67 54.56 -64.49 -41.68 1.93 0.02 98.05 0.58 0.25 0.96 97.38 0.82 0.00 0.01 0.00 36 E H H 107.39 2.60 17.70 20.27 92.17 50.62 -65.02 -40.23 1.08 0.02 98.90 0.31 0.12 0.57 98.11 0.87 0.00 0.01 0.00 37 D H H 72.96 3.15 16.56 20.18 92.33 50.29 -65.56 -40.52 1.03 0.01 98.96 0.23 0.11 0.60 98.26 0.79 0.00 0.01 0.00 38 I H H 51.26 7.49 13.45 22.93 92.70 50.32 -65.16 -41.74 1.37 0.01 98.61 0.25 0.16 0.84 98.14 0.60 0.00 0.01 0.00 39 K H H 96.83 5.06 13.74 20.18 92.41 51.21 -64.47 -40.08 2.53 0.02 97.45 0.43 0.23 1.70 96.37 1.25 0.00 0.01 0.00 40 R H H 139.70 2.55 13.46 16.85 92.59 51.19 -66.54 -36.46 5.18 0.02 94.80 0.51 0.38 4.07 92.52 2.49 0.01 0.01 0.01 41 R H H 151.71 2.30 13.19 16.08 95.56 47.19 -75.04 -34.71 10.51 0.04 89.45 0.75 0.80 8.86 86.18 3.33 0.04 0.02 0.02 42 R H H 148.04 2.76 12.94 16.42 100.35 35.84 -88.33 -31.10 32.69 0.16 67.15 1.56 2.67 28.36 63.22 3.92 0.11 0.06 0.11 43 Y C T 134.45 3.93 12.44 17.49 106.52 20.93 -113.67 -0.81 57.83 1.01 41.16 7.57 9.66 40.12 37.19 4.26 0.14 0.45 0.61 44 Y C C 124.37 5.86 10.15 17.76 117.66 93.48 -103.96 127.11 85.22 8.09 6.69 63.83 11.27 9.29 4.64 2.24 0.01 4.06 4.67 45 E C C 91.85 6.67 10.37 18.92 117.61 -164.35 -100.32 135.82 91.51 5.41 3.07 80.23 8.34 2.27 2.49 0.79 0.00 2.38 3.50 46 K C C 123.50 3.31 12.43 17.20 114.87 -112.49 -71.68 148.95 90.33 0.65 9.02 73.27 9.42 7.41 6.53 2.72 0.00 0.30 0.36 47 P C T 90.83 3.00 12.20 16.28 101.24 -70.37 -66.72 -19.66 75.38 0.31 24.32 10.61 10.51 53.72 19.27 5.50 0.01 0.13 0.24 48 C C T 68.98 4.38 11.03 16.43 98.61 57.27 -73.63 -20.03 66.11 0.36 33.54 16.00 7.03 42.10 28.67 5.78 0.01 0.15 0.26 49 R H H 128.04 3.35 12.45 17.09 94.47 74.98 -66.35 -38.26 9.16 0.11 90.74 4.97 1.95 2.74 88.76 1.52 0.00 0.04 0.03 50 R H H 136.89 2.39 13.65 16.80 92.82 53.18 -64.70 -41.41 2.47 0.02 97.50 0.92 0.37 1.08 96.95 0.67 0.00 0.01 0.00 51 R H H 134.61 1.99 14.33 16.45 92.28 50.16 -65.44 -39.92 1.21 0.01 98.78 0.42 0.16 0.56 98.40 0.47 0.00 0.00 0.00 52 Q H H 95.44 3.12 14.54 18.37 92.21 50.32 -65.08 -40.70 0.55 0.00 99.45 0.16 0.06 0.25 99.33 0.20 0.00 0.00 0.00 53 R H H 123.93 2.91 15.28 18.80 92.15 50.27 -64.52 -41.07 0.35 0.00 99.65 0.07 0.03 0.18 99.62 0.10 0.00 0.00 0.00 54 E H H 101.86 2.16 16.25 18.26 91.90 50.16 -64.27 -41.46 0.27 0.00 99.73 0.04 0.02 0.15 99.71 0.07 0.00 0.00 0.00 55 S H H 55.50 2.73 15.98 19.04 92.14 50.13 -64.27 -41.09 0.40 0.00 99.60 0.05 0.02 0.24 99.61 0.07 0.00 0.00 0.00 56 Y H H 113.09 3.68 15.58 19.91 92.08 50.16 -64.74 -41.42 0.33 0.00 99.66 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 57 E H H 94.21 2.60 16.14 19.00 91.73 50.51 -64.10 -41.60 0.25 0.00 99.75 0.03 0.02 0.15 99.76 0.05 0.00 0.00 0.00 58 T H H 73.69 2.02 16.68 18.23 91.92 49.94 -64.38 -41.47 0.33 0.00 99.67 0.04 0.02 0.21 99.68 0.06 0.00 0.00 0.00 59 C H H 62.99 3.38 15.16 19.33 92.09 50.20 -64.31 -41.16 0.47 0.00 99.53 0.05 0.02 0.31 99.55 0.07 0.00 0.00 0.00 60 R H H 128.45 3.21 15.76 19.27 91.95 50.67 -64.41 -40.69 0.24 0.00 99.76 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 61 R H H 134.63 1.78 16.45 17.71 91.85 50.64 -64.22 -41.52 0.15 0.00 99.85 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 62 I H H 90.50 2.33 16.18 18.42 91.83 49.38 -64.30 -42.30 0.13 0.00 99.87 0.01 0.01 0.08 99.86 0.03 0.00 0.00 0.00 63 Y H H 112.49 3.92 15.25 19.77 91.92 49.36 -64.44 -41.79 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 64 N H H 85.42 2.69 16.07 18.93 91.74 50.07 -64.22 -40.88 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 65 M H H 101.55 1.84 16.60 17.78 91.82 50.25 -64.23 -41.05 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 66 E H H 92.33 3.26 15.74 19.59 91.98 50.24 -64.51 -41.27 0.32 0.00 99.68 0.03 0.01 0.21 99.70 0.04 0.00 0.00 0.00 67 M H H 88.06 3.71 15.18 19.53 91.99 49.99 -64.91 -40.59 0.70 0.00 99.30 0.09 0.05 0.45 99.35 0.06 0.00 0.00 0.00 68 A H H 57.78 2.21 15.85 18.12 91.65 51.14 -63.37 -40.93 0.59 0.00 99.41 0.13 0.05 0.32 99.45 0.05 0.00 0.00 0.00 69 R H H 133.20 1.99 15.79 17.65 92.07 50.39 -64.85 -40.22 0.48 0.00 99.52 0.07 0.03 0.29 99.55 0.05 0.00 0.00 0.00 70 K H H 108.76 3.12 15.26 18.86 91.97 50.91 -64.69 -41.42 0.28 0.00 99.72 0.04 0.02 0.16 99.72 0.06 0.00 0.00 0.00 71 I H H 89.55 2.57 14.98 17.77 91.94 49.70 -64.28 -41.56 0.22 0.00 99.78 0.03 0.01 0.12 99.76 0.07 0.00 0.00 0.00 72 N H H 86.98 1.98 14.99 16.96 91.95 50.40 -64.10 -40.64 0.52 0.00 99.48 0.06 0.02 0.33 99.41 0.17 0.00 0.00 0.00 73 F H H 106.29 2.59 13.65 17.00 92.19 50.50 -64.73 -40.96 1.41 0.00 98.59 0.14 0.09 1.02 98.29 0.46 0.00 0.00 0.00 74 L H H 88.73 2.60 13.01 16.28 92.27 50.10 -65.16 -40.15 3.26 0.01 96.72 0.48 0.33 2.22 96.06 0.89 0.00 0.01 0.00 75 M H H 111.92 2.04 12.46 14.98 92.42 51.35 -66.42 -36.00 12.92 0.11 86.97 2.87 1.58 8.37 85.15 1.91 0.02 0.04 0.06 76 R H H 149.14 2.19 11.03 14.29 94.27 53.42 -73.31 -26.05 27.60 0.37 72.03 8.06 3.57 16.75 68.49 2.72 0.04 0.15 0.22 77 K H H 138.65 2.39 10.66 14.23 96.02 62.95 -73.67 -24.20 43.24 0.53 56.23 13.18 8.85 22.13 52.59 2.70 0.04 0.19 0.33 78 N C C 125.94 1.35 10.78 12.55 100.80 46.29 -94.25 14.14 70.38 0.64 28.99 30.51 12.09 27.44 26.60 2.71 0.01 0.22 0.43 79 R C C 134.05 4.17 7.97 14.29 115.78 122.80 -87.56 134.01 93.98 0.77 5.26 76.47 11.39 5.93 4.09 1.22 0.00 0.29 0.61 80 A C C 86.95 1.80 10.64 13.65 111.74 -123.08 -75.86 145.56 96.20 1.17 2.63 75.86 16.11 4.01 1.61 0.94 0.00 0.40 1.08 81 D C C 83.87 5.07 8.63 15.51 111.89 -99.07 -86.10 122.26 98.94 0.54 0.52 87.56 10.41 0.90 0.21 0.27 0.00 0.18 0.48 82 P C T 96.40 3.51 9.74 15.18 94.35 -149.81 -65.36 -20.95 89.60 0.39 10.00 13.15 11.14 64.79 1.61 8.85 0.00 0.20 0.26 83 W C T 169.56 3.26 8.83 13.62 100.53 59.03 -91.47 10.18 88.04 0.70 11.26 12.36 10.78 64.36 2.02 9.65 0.00 0.35 0.47 84 Q C T 127.29 2.74 8.18 12.83 107.62 110.96 -73.29 120.16 88.15 1.14 10.71 22.45 12.78 52.53 1.41 9.54 0.00 0.53 0.75 85 G C C 62.86 1.09 10.43 11.98 100.46 12.09 81.25 1.69 96.21 0.42 3.36 46.53 5.13 44.96 0.64 2.29 0.00 0.23 0.22 86 C C C 80.62 5.63 9.97 17.04 103.41 95.23 -87.90 25.06 99.84 0.12 0.04 99.25 0.50 0.13 0.01 0.01 0.00 0.05 0.05