# 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 A C C 80.77 3.37 10.65 15.56 112.14 -131.91 -85.14 132.13 99.92 0.07 0.01 99.81 0.13 0.02 0.00 0.00 0.00 0.03 0.01 1 V C C 107.05 3.07 7.64 12.71 117.52 -147.04 -100.44 130.56 97.70 2.18 0.12 96.74 1.14 0.11 0.07 0.02 0.00 0.73 1.19 2 P C C 98.68 2.47 7.44 11.86 114.19 -109.13 -67.23 147.59 97.27 1.62 1.11 93.32 2.61 1.60 0.40 0.46 0.00 0.93 0.67 3 K C C 170.31 1.03 7.67 9.74 112.18 -122.02 -82.86 134.22 92.38 3.65 3.98 80.09 8.08 4.04 1.59 2.17 0.00 1.85 2.19 4 R C C 178.50 1.61 7.14 10.34 114.89 -121.50 -94.20 131.44 87.74 6.52 5.74 65.76 15.86 5.78 2.37 3.39 0.00 3.76 3.09 5 R C C 182.29 1.40 7.81 10.66 114.17 -146.11 -92.64 130.73 86.46 7.63 5.91 68.35 13.31 4.48 3.10 2.75 0.00 4.32 3.70 6 M C C 112.30 4.36 6.80 13.08 118.09 -138.03 -93.36 143.16 92.00 5.18 2.83 78.88 11.63 1.21 2.25 0.70 0.00 2.32 3.01 7 S C C 65.76 1.97 10.29 13.24 118.44 -116.70 -76.84 159.26 94.25 2.88 2.87 90.43 3.43 0.52 2.66 0.31 0.00 1.12 1.53 8 R H H 181.38 1.17 9.80 11.81 92.53 -107.82 -60.53 -36.87 9.53 0.10 90.37 3.29 1.91 4.89 87.22 2.58 0.02 0.05 0.04 9 A H H 76.86 1.02 11.38 12.04 92.31 54.06 -65.62 -39.21 9.59 0.16 90.24 3.29 1.54 5.56 86.26 3.17 0.02 0.10 0.06 10 N H H 80.94 2.67 11.22 15.09 93.74 49.79 -68.88 -37.60 8.16 0.43 91.41 4.26 1.60 3.55 86.18 3.95 0.02 0.31 0.11 11 T H H 63.16 3.90 10.71 16.42 93.03 53.49 -65.11 -41.41 5.31 0.26 94.43 2.86 0.90 2.11 92.37 1.51 0.01 0.18 0.06 12 R H H 150.64 1.33 13.35 14.34 92.56 50.63 -65.61 -39.34 6.36 0.24 93.39 2.72 0.81 3.22 91.41 1.59 0.02 0.17 0.06 13 S H H 67.34 1.58 12.98 14.44 92.96 50.56 -66.49 -39.44 10.78 0.26 88.96 4.06 1.44 5.83 86.56 1.83 0.03 0.15 0.10 14 R H H 132.48 2.76 11.92 15.72 93.76 51.33 -68.46 -37.64 18.10 0.42 81.48 6.77 2.75 9.45 78.23 2.34 0.05 0.20 0.19 15 R H H 139.42 2.62 11.53 15.26 94.07 54.05 -68.37 -34.41 25.99 0.61 73.40 11.45 3.71 11.77 68.53 3.92 0.03 0.29 0.30 16 A H H 71.40 2.04 11.12 14.02 94.61 56.76 -69.17 -30.30 35.94 0.57 63.49 13.58 4.89 17.19 54.59 9.16 0.03 0.29 0.28 17 Q H H 127.99 1.83 10.51 13.15 96.69 59.46 -77.35 -16.67 47.26 0.70 52.04 15.33 6.89 24.86 40.93 11.24 0.03 0.33 0.39 18 W C H 169.51 3.17 9.29 14.08 100.69 69.30 -85.56 6.65 58.72 1.70 39.58 27.26 11.70 20.29 30.06 9.04 0.03 0.79 0.84 19 K C C 149.18 2.00 10.78 14.05 110.18 83.41 -87.97 117.95 74.52 4.18 21.30 50.15 9.33 14.16 17.20 4.90 0.01 2.24 2.01 20 A C C 71.03 5.25 8.17 15.23 113.73 -132.22 -83.56 139.37 84.88 5.75 9.37 65.54 11.28 7.36 7.00 2.85 0.00 3.28 2.69 21 E C C 146.95 1.73 12.02 14.73 115.09 -132.18 -95.18 131.90 88.45 7.94 3.62 70.10 13.89 3.45 2.34 1.31 0.00 3.51 5.40 22 A C C 78.00 3.91 10.17 16.11 115.16 -104.40 -78.69 139.42 98.08 1.80 0.12 81.39 16.49 0.41 0.04 0.07 0.00 1.04 0.55 23 P C C 81.82 6.92 9.65 18.22 112.61 -105.83 -69.16 148.96 98.37 1.42 0.21 88.63 7.75 2.04 0.04 0.18 0.00 1.12 0.25 24 G C C 48.91 2.65 14.66 17.87 118.34 -127.96 -95.33 161.36 81.73 18.03 0.25 64.99 14.01 2.03 0.03 0.28 0.00 17.57 1.09 25 L E E 98.98 8.00 10.08 19.59 118.28 -111.58 -97.10 137.06 32.35 67.60 0.05 30.16 1.77 0.09 0.01 0.03 0.00 67.28 0.66 26 V E E 71.20 5.85 13.77 21.53 124.60 -170.56 -122.07 142.52 2.47 97.52 0.01 2.28 0.13 0.01 0.00 0.00 0.00 97.42 0.17 27 T E E 89.37 3.87 14.65 19.98 114.11 -110.67 -75.55 136.98 2.63 97.35 0.02 2.64 0.07 0.01 0.01 0.01 0.00 96.51 0.75 28 V C E 34.66 13.25 7.40 21.14 113.05 -133.53 -90.86 125.08 51.02 48.69 0.29 48.06 1.76 0.28 0.07 0.17 0.00 48.30 1.35 29 S C T 86.92 1.51 13.77 15.53 95.87 -150.78 -72.99 -27.56 91.79 4.63 3.58 12.28 17.64 61.80 0.21 3.61 0.00 3.71 0.75 30 V C T 103.48 3.21 11.67 15.94 98.40 48.83 -79.98 -35.84 96.20 1.08 2.72 1.68 9.89 84.77 0.16 2.49 0.00 0.73 0.28 31 A C T 64.50 3.97 10.94 16.22 102.26 25.14 -100.90 -8.38 97.24 0.65 2.12 2.38 8.14 86.59 0.10 2.19 0.00 0.44 0.16 32 G C C 53.27 2.06 12.22 15.23 98.75 -109.75 81.42 5.07 95.64 3.34 1.02 48.79 15.38 31.51 0.15 0.98 0.00 2.55 0.64 33 Q C C 98.84 5.20 9.59 16.66 117.41 136.45 -87.44 144.22 82.43 17.16 0.42 68.92 10.09 2.42 0.08 0.38 0.00 17.01 1.10 34 Q E E 126.19 2.71 13.63 17.62 116.81 -133.59 -99.04 136.19 30.79 69.04 0.17 27.61 2.21 0.28 0.04 0.10 0.00 68.93 0.82 35 R E E 117.06 9.13 10.72 20.96 118.89 -148.18 -103.14 136.52 5.74 94.16 0.10 5.28 0.38 0.09 0.04 0.04 0.00 93.30 0.87 36 K E E 105.93 6.23 13.41 21.30 121.11 -165.75 -113.81 138.08 10.09 89.78 0.13 9.06 0.85 0.14 0.06 0.06 0.00 88.28 1.54 37 V C C 70.33 6.58 12.89 21.20 117.00 -126.48 -97.81 133.31 65.61 32.53 1.86 57.59 4.58 1.69 0.70 0.93 0.00 33.54 0.97 38 P C T 71.59 7.31 12.14 20.86 109.35 -102.91 -63.43 142.07 81.68 6.33 11.99 22.96 20.03 39.16 5.39 6.34 0.04 5.19 0.90 39 R C T 156.51 4.28 13.89 19.47 97.53 8.76 -75.49 12.54 77.21 8.54 14.25 23.42 19.12 35.35 6.12 7.80 0.07 6.76 1.37 40 R C C 123.14 5.11 14.59 21.29 123.85 103.28 -115.71 144.95 51.04 34.34 14.62 35.38 10.01 6.34 7.73 7.27 0.10 28.42 4.76 41 L E E 79.45 9.11 12.70 23.06 115.45 -128.70 -86.48 135.41 39.74 52.09 8.16 31.65 4.37 2.14 6.72 2.32 0.06 35.77 16.98 42 L C C 49.93 10.27 11.60 23.53 113.91 -122.19 -81.53 142.13 69.78 21.94 8.28 63.67 3.87 1.66 7.00 1.69 0.01 19.46 2.64 43 K C T 141.01 2.41 15.92 18.84 93.57 -127.14 -62.43 -35.01 46.72 7.77 45.51 8.38 8.10 30.12 28.66 16.60 0.42 6.45 1.28 44 A H H 53.36 4.49 13.84 19.83 92.44 55.90 -67.62 -30.26 40.01 10.41 49.57 8.75 6.04 24.96 30.87 18.67 0.40 8.87 1.44 45 A H H 30.91 12.33 9.87 22.80 95.64 54.58 -77.75 -25.44 25.64 17.05 57.31 12.40 5.18 9.17 30.02 26.00 0.22 14.77 2.23 46 R H H 152.85 3.74 13.30 18.59 96.18 73.55 -66.93 -25.27 30.88 21.58 47.54 10.41 5.70 15.81 28.16 19.29 0.51 17.09 3.02 47 L C T 118.49 2.14 13.27 15.90 96.79 51.19 -84.20 -2.92 55.70 9.94 34.36 6.56 8.36 40.93 16.54 17.42 0.52 7.36 2.30 48 G C T 49.36 3.91 12.93 18.16 99.62 -99.74 82.25 4.52 85.76 6.79 7.45 11.80 14.21 60.31 3.14 3.84 0.03 5.38 1.28 49 L C C 92.09 5.52 11.67 18.68 98.90 116.80 -83.84 -14.62 64.94 28.80 6.26 31.30 23.88 11.02 3.06 3.27 0.18 18.52 8.77 50 V C C 69.22 9.41 9.11 19.44 115.35 60.66 -102.60 123.53 63.05 31.74 5.20 36.78 20.72 6.48 2.53 2.80 0.19 21.42 9.09 51 D C C 104.14 2.68 11.90 16.04 112.62 -150.83 -98.48 119.19 80.24 16.74 3.02 70.35 6.60 2.86 1.35 1.71 0.00 13.71 3.41 52 L C C 112.10 5.07 8.07 14.86 103.17 -157.41 -81.06 2.42 90.51 7.74 1.75 87.23 1.68 2.03 0.72 0.75 0.00 5.35 2.25 53 D C C 119.95 1.51 12.00 14.29 105.33 84.73 -78.77 73.07 99.87 0.10 0.02 99.66 0.15 0.10 0.01 0.00 0.00 0.06 0.01