# 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 132.91 3.30 11.25 16.21 111.93 -166.70 -91.26 119.71 99.62 0.34 0.03 99.34 0.28 0.10 0.01 0.01 0.00 0.20 0.06 1 G C C 50.13 3.01 10.28 14.99 122.02 -96.20 -141.69 171.56 94.59 5.15 0.26 92.30 1.65 0.96 0.09 0.14 0.00 3.60 1.26 2 K C C 161.34 1.56 10.71 13.39 113.89 -72.97 -88.89 134.52 84.84 14.67 0.49 70.62 11.64 2.17 0.18 0.37 0.00 9.74 5.29 3 V C C 93.85 5.94 7.89 15.56 116.61 -138.22 -102.65 130.36 81.49 17.89 0.62 73.95 5.73 1.21 0.25 0.39 0.00 10.95 7.50 4 H C C 142.99 2.47 11.06 14.87 114.90 -153.72 -99.92 130.52 83.38 14.75 1.87 43.71 19.98 20.79 0.56 1.29 0.01 9.86 3.79 5 G C S 48.07 3.10 13.53 17.45 109.69 9.05 89.77 -34.59 93.24 4.87 1.90 20.40 44.92 28.42 0.42 1.35 0.00 2.99 1.50 6 S C C 51.51 5.11 12.70 19.36 120.68 43.77 -97.68 151.40 91.68 5.46 2.86 67.88 21.23 1.35 2.16 0.72 0.00 1.47 5.20 7 L H H 85.87 7.46 11.42 20.46 92.93 -120.06 -62.09 -34.23 29.76 0.44 69.79 2.97 4.07 20.99 40.34 30.98 0.16 0.24 0.25 8 A H H 62.02 4.44 12.90 18.80 92.18 58.74 -64.98 -37.47 22.70 0.34 76.96 1.57 1.99 17.15 42.97 35.89 0.10 0.22 0.12 9 R H H 154.05 2.29 13.73 16.72 92.82 52.21 -70.99 -27.78 18.74 0.42 80.84 1.86 2.08 12.78 46.82 35.93 0.13 0.27 0.14 10 A H H 55.19 6.25 10.40 18.27 94.51 57.95 -79.65 -8.93 42.39 0.62 56.99 2.50 4.76 32.67 36.85 21.96 0.40 0.30 0.56 11 G C T 51.91 2.88 13.47 17.39 97.07 -109.53 78.62 9.24 87.08 0.59 12.33 6.79 7.20 72.91 6.63 5.71 0.02 0.31 0.43 12 K C C 124.84 3.71 12.43 17.50 99.45 113.49 -85.64 -4.33 75.70 4.84 19.46 38.16 16.77 21.10 7.24 11.34 0.16 2.01 3.23 13 V C C 66.70 7.96 8.63 17.78 108.58 73.00 -100.39 84.57 69.32 8.74 21.95 43.64 15.02 10.39 8.74 12.54 0.14 3.38 6.15 14 K C G 149.85 2.31 11.18 14.86 97.42 59.27 -68.41 -32.81 49.36 2.81 47.83 12.64 9.23 29.18 5.76 40.28 0.04 1.69 1.19 15 N C G 138.21 0.67 12.06 11.82 96.92 36.38 -80.26 2.17 54.03 1.36 44.61 8.32 9.62 35.99 4.06 40.56 0.02 0.78 0.65 16 Q C G 124.97 2.81 9.76 14.07 101.43 63.57 -93.35 4.54 62.41 2.46 35.13 29.09 17.38 15.66 3.03 32.40 0.01 1.14 1.29 17 T C C 80.44 5.41 7.65 14.94 118.47 93.08 -99.53 133.43 97.65 1.67 0.68 53.82 43.15 0.76 0.35 0.24 0.00 0.52 1.16 18 P C C 89.12 3.29 9.99 15.05 114.72 -106.70 -68.23 149.46 96.27 1.38 2.35 79.31 12.21 4.71 1.11 1.19 0.00 0.74 0.75 19 K C C 169.71 1.02 10.58 12.37 112.47 -111.00 -79.73 132.96 90.37 7.37 2.26 77.51 8.99 2.62 1.23 0.97 0.00 3.01 5.67 20 V C C 92.34 5.74 6.10 13.48 119.50 -154.57 -101.85 139.39 91.42 5.85 2.73 84.33 5.54 1.00 1.88 0.81 0.00 2.62 3.80 21 S C C 84.54 1.25 10.07 11.88 115.37 -111.25 -72.43 148.95 92.67 1.82 5.51 87.32 3.89 1.99 3.15 1.83 0.00 0.97 0.84 22 K C C 167.09 1.29 8.24 10.89 109.10 -104.44 -74.75 134.94 79.65 1.76 18.59 56.75 14.42 8.51 8.78 9.66 0.00 0.89 0.99 23 Q C C 130.19 2.21 6.92 11.01 116.07 -134.67 -94.59 142.85 80.23 1.92 17.86 60.46 12.40 7.36 7.63 10.13 0.00 0.97 1.05 24 E C C 153.79 1.26 7.62 10.13 111.33 -120.36 -84.39 127.84 82.28 1.98 15.75 67.66 9.63 5.21 7.17 8.22 0.00 0.98 1.13 25 K C C 147.71 2.12 6.90 10.83 114.87 -131.40 -87.44 136.03 90.16 1.37 8.47 74.36 11.69 4.36 4.64 3.42 0.00 0.65 0.89 26 K C C 166.41 1.10 7.61 9.88 109.99 -129.24 -82.02 126.20 94.23 1.36 4.42 81.66 8.63 4.05 2.17 1.96 0.00 0.67 0.87 27 K C C 155.41 1.61 7.53 10.75 114.64 -141.65 -91.23 135.07 96.08 2.08 1.84 75.54 17.93 2.18 0.93 0.81 0.00 0.80 1.80 28 Q C C 140.64 1.51 8.65 11.61 115.11 -125.06 -94.55 131.73 98.27 1.25 0.48 77.09 20.57 0.58 0.30 0.16 0.00 0.52 0.77 29 P C C 86.91 4.93 7.10 13.94 112.93 -110.18 -68.03 144.14 95.53 1.49 2.98 85.61 6.61 3.34 1.89 0.89 0.00 0.69 0.98 30 R C C 177.15 1.28 9.55 11.76 117.56 -159.17 -106.82 143.95 92.24 2.53 5.23 76.72 11.00 3.86 4.09 1.26 0.00 0.96 2.11 31 G H H 47.17 1.73 11.84 13.86 118.17 8.67 72.78 -150.37 43.11 1.42 55.47 23.77 16.18 5.47 50.90 2.41 0.02 0.44 0.82 32 R H H 163.34 1.59 11.63 13.58 94.62 -42.06 -66.10 -34.28 6.46 0.15 93.39 2.77 1.37 3.07 89.77 2.88 0.02 0.08 0.04 33 A H H 51.56 4.00 10.59 16.48 92.51 55.02 -64.56 -39.35 3.13 0.18 96.68 1.26 0.59 1.63 93.29 3.03 0.02 0.14 0.03 34 F H H 111.46 3.04 12.67 16.86 92.15 51.81 -64.54 -40.32 1.29 0.11 98.59 0.44 0.24 0.68 96.46 2.07 0.01 0.10 0.01 35 K H H 119.06 1.91 14.22 16.21 92.13 51.15 -64.66 -40.90 1.37 0.13 98.50 0.35 0.21 0.83 96.96 1.52 0.01 0.10 0.02 36 R H H 128.91 2.91 13.69 17.47 92.44 50.74 -65.27 -40.22 2.06 0.15 97.79 0.42 0.24 1.45 95.88 1.83 0.02 0.13 0.03 37 L H H 84.70 4.25 12.96 18.65 92.39 51.31 -65.37 -38.68 4.32 0.10 95.58 0.69 0.40 3.25 93.06 2.48 0.03 0.07 0.03 38 K H H 125.64 2.14 14.35 16.81 93.00 51.97 -66.59 -37.15 14.13 0.21 85.65 1.74 1.13 11.36 82.70 2.75 0.09 0.12 0.11 39 Y H H 127.73 2.76 13.31 16.83 95.36 50.10 -72.12 -37.26 30.97 0.81 68.22 8.01 4.63 19.20 63.76 3.36 0.22 0.35 0.47 40 T H H 64.60 4.91 11.87 18.37 97.47 56.30 -73.62 -31.95 30.79 2.01 67.20 17.87 5.08 10.22 59.19 5.62 0.13 1.03 0.88 41 Q H H 102.40 3.73 12.33 17.34 95.32 62.87 -68.17 -34.70 23.97 1.40 74.63 8.65 3.55 11.84 58.64 15.83 0.13 0.90 0.45 42 R H H 154.12 1.91 12.71 15.11 94.59 57.19 -71.21 -32.69 26.47 1.10 72.43 6.47 3.38 15.86 57.50 15.52 0.15 0.74 0.38 43 Y H H 142.85 3.02 11.38 15.42 99.84 44.78 -86.96 -22.78 32.33 2.37 65.30 8.28 5.55 18.85 52.44 12.06 0.41 1.47 0.94 44 L C H 100.99 4.13 9.90 15.57 104.47 61.97 -85.68 -11.23 47.24 6.80 45.97 17.00 12.01 20.03 38.26 5.64 0.75 3.63 2.69 45 A C T 81.22 2.32 10.67 14.12 105.65 56.58 -88.53 60.55 64.34 5.74 29.92 25.79 12.16 26.73 24.83 5.14 0.13 3.47 1.74 46 K C C 138.84 2.88 9.46 14.11 109.16 129.34 -92.58 96.61 71.50 8.63 19.87 43.77 16.29 11.32 15.90 4.54 0.10 5.31 2.76 47 T C C 96.78 2.44 9.74 13.75 116.97 69.59 -102.39 131.40 74.73 12.76 12.50 56.41 10.41 6.56 10.49 3.05 0.03 8.13 4.92 48 L C C 111.26 4.08 7.50 13.59 115.40 -149.97 -94.76 133.70 79.99 13.25 6.76 63.86 10.68 3.76 5.59 1.92 0.01 6.81 7.38 49 K C C 149.88 1.46 9.16 11.86 119.44 -150.45 -101.41 145.02 89.20 6.53 4.27 67.55 15.99 4.88 2.81 1.61 0.00 2.94 4.21 50 A C T 99.02 0.96 8.07 9.97 109.58 -89.78 -61.93 132.63 91.89 1.43 6.67 8.39 12.56 70.99 2.72 3.71 0.01 0.84 0.78 51 G C T 67.25 0.47 10.01 9.49 98.48 13.35 84.10 -1.66 93.78 0.76 5.45 9.67 14.00 70.33 1.71 3.47 0.00 0.48 0.33 52 E C C 118.52 2.91 7.81 12.77 119.45 114.64 -91.89 148.42 88.17 5.87 5.96 63.04 19.73 4.95 2.06 3.92 0.00 2.90 3.39 53 K C C 157.23 1.62 9.82 12.78 115.36 -116.80 -86.87 138.79 81.71 11.06 7.23 69.26 7.38 4.08 3.36 3.84 0.00 6.31 5.77 54 L C C 101.93 6.08 7.44 15.23 114.54 -118.33 -82.84 138.27 84.49 8.22 7.28 71.96 8.25 4.09 2.83 4.31 0.00 5.43 3.13 55 R C C 167.72 1.96 10.64 14.08 116.54 -137.69 -94.49 139.13 85.98 7.19 6.82 74.85 6.74 4.28 2.61 3.99 0.00 4.61 2.91 56 M C C 137.20 3.32 8.36 13.45 111.14 -118.39 -80.93 135.94 85.69 6.06 8.26 56.23 18.12 11.29 2.50 5.68 0.01 3.39 2.78 57 N C C 104.30 3.73 8.19 13.68 111.74 -121.02 -94.15 118.12 90.41 4.82 4.76 61.23 19.00 9.85 1.44 3.34 0.00 2.43 2.72 58 K C C 165.05 1.37 10.09 12.44 99.11 -156.97 -79.45 -10.83 93.49 3.54 2.98 52.59 31.27 9.69 0.86 2.01 0.00 1.66 1.92 59 Q C S 127.91 2.26 8.64 12.69 115.29 86.82 -99.75 126.78 97.49 2.12 0.39 44.68 51.51 1.39 0.13 0.22 0.00 0.86 1.21 60 P C C 84.88 3.85 8.37 14.24 115.35 -111.18 -66.24 150.47 96.70 0.95 2.35 80.21 9.30 6.81 0.47 2.12 0.00 0.50 0.58 61 P C T 115.55 1.68 9.75 12.67 106.09 -103.28 -68.13 133.26 88.22 1.11 10.67 30.60 13.04 43.54 0.97 10.76 0.00 0.60 0.49 62 G C T 55.28 2.70 8.97 13.29 112.74 17.58 -89.37 150.10 84.51 2.82 12.68 28.58 14.88 40.54 1.12 12.32 0.00 1.59 0.96 63 K C C 148.92 2.54 8.93 13.31 112.90 -113.04 -94.97 129.24 83.23 5.49 11.28 59.12 14.02 8.85 1.84 10.67 0.00 3.06 2.43 64 A C C 86.50 2.52 8.62 13.12 115.22 -147.16 -92.77 142.50 90.87 6.32 2.82 82.63 2.84 5.39 1.04 1.47 0.00 3.31 3.31 65 G C C 52.25 2.96 12.30 16.59 114.77 20.71 93.42 -137.58 99.49 0.44 0.06 98.72 0.60 0.28 0.02 0.02 0.00 0.28 0.09