# 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 116.93 5.02 12.01 18.64 118.20 -164.65 -102.65 134.82 99.86 0.13 0.01 99.80 0.09 0.02 0.00 0.00 0.00 0.07 0.02 1 S C C 75.03 4.22 10.07 16.15 115.87 -135.59 -87.30 141.74 94.84 3.57 1.58 91.89 0.90 2.75 0.44 0.71 0.00 1.98 1.34 2 H C C 120.27 5.89 9.37 16.78 113.99 -148.45 -95.83 128.18 91.70 5.21 3.09 62.71 18.03 10.59 0.48 3.08 0.00 2.97 2.13 3 K C C 136.29 4.20 12.13 17.87 111.77 -160.50 -93.62 123.29 92.09 5.05 2.87 51.25 30.51 10.39 0.30 2.98 0.00 3.71 0.87 4 Q C C 102.98 5.47 14.77 21.49 119.53 -142.77 -108.67 137.41 82.65 15.41 1.94 55.11 22.43 4.91 0.25 1.87 0.00 14.27 1.16 5 I E E 55.56 15.00 11.56 26.76 120.33 -154.53 -108.07 132.27 45.36 54.48 0.16 41.02 3.25 0.29 0.03 0.12 0.00 54.19 1.10 6 Y E E 106.27 7.04 18.60 26.77 124.36 -167.58 -119.02 139.49 8.27 91.68 0.06 7.57 0.56 0.06 0.03 0.03 0.00 89.74 2.02 7 Y E E 94.49 13.13 13.60 27.10 122.98 -157.19 -111.93 140.30 13.42 86.51 0.08 11.96 1.25 0.12 0.03 0.05 0.00 84.81 1.78 8 S C C 35.69 11.13 12.53 24.81 121.36 -122.98 -91.36 160.25 61.28 38.59 0.13 54.51 4.81 0.39 0.02 0.11 0.00 39.39 0.76 9 D C C 104.03 2.92 17.38 20.73 113.56 -107.98 -78.05 143.31 73.18 26.70 0.11 45.01 25.77 0.93 0.01 0.12 0.00 27.81 0.35 10 K C E 123.09 6.36 12.81 20.79 117.86 -104.09 -88.33 140.00 50.34 49.50 0.15 43.88 4.80 0.45 0.02 0.14 0.00 50.11 0.60 11 Y E E 90.49 8.75 10.63 21.09 127.41 -173.64 -130.51 148.49 7.79 92.13 0.08 7.13 0.56 0.09 0.04 0.04 0.00 86.52 5.62 12 D E E 104.25 3.09 11.56 16.51 117.97 -148.83 -114.14 127.65 21.03 78.89 0.08 18.36 2.34 0.32 0.02 0.06 0.00 77.23 1.66 13 D C C 68.91 5.96 8.28 16.12 123.73 168.22 -123.77 160.35 80.22 19.50 0.28 65.54 11.24 2.13 0.05 0.26 0.00 19.85 0.93 14 E C S 171.19 0.46 11.16 10.41 94.06 -91.94 -65.56 -26.89 99.32 0.32 0.36 3.65 65.67 30.12 0.03 0.26 0.00 0.20 0.06 15 E C S 149.11 1.04 11.03 11.84 101.88 31.00 -96.98 -22.70 98.79 0.86 0.35 3.76 67.34 27.85 0.03 0.27 0.00 0.62 0.12 16 F E E 87.00 6.89 10.40 19.13 133.94 14.68 -146.75 153.52 47.39 52.36 0.24 33.92 12.72 2.00 0.05 0.25 0.00 49.46 1.61 17 E E E 107.77 4.77 13.73 20.05 116.00 -133.46 -99.41 132.04 15.61 84.23 0.16 13.01 2.02 0.45 0.06 0.09 0.00 83.02 1.35 18 Y E E 68.83 11.81 12.52 25.57 130.07 -174.87 -133.03 150.51 10.67 89.25 0.09 9.20 0.99 0.20 0.03 0.05 0.00 88.74 0.79 19 R E E 95.62 8.87 17.21 27.20 119.78 -151.18 -109.85 135.45 18.40 81.51 0.09 14.41 3.21 0.36 0.02 0.06 0.00 81.69 0.26 20 H E E 70.48 11.19 17.62 29.54 124.10 -143.24 -116.09 137.32 14.07 85.86 0.06 10.92 3.02 0.24 0.01 0.04 0.00 85.34 0.43 21 V E E 25.52 16.09 16.25 33.31 122.51 -164.98 -118.03 133.41 7.86 92.11 0.03 7.30 0.41 0.03 0.01 0.01 0.00 91.69 0.55 22 M E E 81.72 8.45 21.80 30.90 117.89 -147.09 -105.22 127.81 11.44 88.53 0.03 10.46 0.78 0.05 0.01 0.02 0.00 86.93 1.75 23 L E E 21.10 20.06 12.73 32.76 119.97 -159.41 -103.64 137.55 49.51 50.47 0.02 46.32 2.49 0.05 0.00 0.01 0.00 50.31 0.82 24 P C C 45.60 6.52 17.54 25.87 113.90 -107.06 -63.95 146.47 80.68 19.22 0.10 80.86 0.67 0.06 0.05 0.03 0.00 17.69 0.63 25 K H H 127.84 5.69 13.81 21.37 91.36 -115.00 -57.70 -37.07 6.04 0.03 93.94 0.55 0.72 4.31 85.42 8.96 0.02 0.01 0.01 26 D H H 103.52 1.48 17.23 17.83 91.61 57.19 -64.81 -35.23 3.86 0.03 96.10 0.35 0.33 2.93 86.77 9.58 0.01 0.02 0.01 27 I H H 38.58 12.53 13.80 27.33 93.78 48.65 -71.54 -34.74 1.79 0.02 98.19 0.24 0.15 1.22 88.47 9.89 0.00 0.02 0.00 28 A H H 22.50 16.93 11.39 28.20 91.19 61.85 -62.77 -35.69 3.75 0.03 96.22 0.35 0.22 2.85 83.32 13.23 0.01 0.02 0.01 29 K H T 153.83 1.51 18.37 19.50 90.80 59.22 -69.21 -21.61 49.96 0.05 49.99 0.47 0.81 52.32 36.52 9.78 0.02 0.02 0.05 30 L C T 101.90 4.45 16.44 21.80 94.15 57.12 -87.66 -7.81 62.97 0.07 36.96 0.63 1.50 63.43 26.49 7.82 0.01 0.03 0.07 31 V C S 23.95 19.93 7.68 26.17 117.44 96.00 -83.03 136.93 99.40 0.42 0.17 9.90 89.32 0.25 0.11 0.02 0.00 0.08 0.31 32 P C C 61.99 4.40 15.71 21.48 113.16 -106.37 -63.63 144.72 98.63 0.96 0.41 96.83 1.15 0.74 0.12 0.19 0.00 0.31 0.66 33 K C T 151.36 4.33 11.24 17.96 92.45 -124.62 -65.40 -22.45 96.88 0.46 2.66 4.64 20.69 71.19 0.28 2.68 0.00 0.26 0.26 34 T C T 110.70 1.25 14.65 15.39 96.06 61.73 -87.96 -2.52 96.61 1.15 2.24 6.15 17.86 72.23 0.22 2.38 0.00 0.79 0.36 35 H C C 91.34 8.76 10.99 20.99 115.41 99.51 -86.86 131.07 87.15 10.42 2.43 56.06 26.40 4.62 0.38 2.54 0.00 5.92 4.09 36 L C C 103.68 6.21 14.69 22.22 114.21 -143.58 -87.23 129.74 78.23 21.12 0.65 64.49 11.18 2.18 0.19 0.57 0.00 14.12 7.27 37 M C C 47.21 14.78 10.53 25.49 123.34 -145.78 -100.74 147.36 74.94 24.77 0.29 63.22 11.62 0.54 0.11 0.19 0.00 18.00 6.32 38 S C C 55.35 3.02 19.05 21.73 120.10 -112.20 -74.45 161.16 85.90 13.81 0.29 85.00 1.71 0.11 0.21 0.06 0.00 10.37 2.55 39 E H H 105.05 8.93 12.08 22.27 91.25 -108.63 -58.02 -38.08 2.02 0.02 97.96 0.44 0.33 1.19 97.22 0.80 0.00 0.01 0.00 40 S H H 75.66 1.25 17.00 16.91 91.88 54.72 -64.05 -40.31 0.93 0.01 99.06 0.11 0.09 0.68 98.21 0.90 0.00 0.01 0.00 41 E H H 73.62 5.77 15.20 22.50 91.84 49.60 -65.10 -40.69 0.36 0.02 99.62 0.05 0.03 0.26 98.63 1.01 0.00 0.02 0.00 42 W H H 31.51 17.31 10.79 28.05 92.25 50.79 -64.52 -41.65 0.53 0.02 99.44 0.06 0.04 0.40 98.68 0.79 0.00 0.02 0.00 43 R H H 129.06 5.21 15.24 21.79 91.50 51.49 -63.79 -39.85 4.59 0.03 95.38 0.33 0.24 3.85 94.13 1.40 0.01 0.02 0.01 44 N H H 122.59 1.19 16.87 17.12 91.30 53.14 -67.47 -27.51 16.38 0.02 83.59 0.41 0.46 16.11 81.62 1.36 0.02 0.01 0.01 45 L C T 64.39 10.77 12.88 24.61 94.20 54.87 -83.89 -8.16 64.59 0.21 35.19 1.69 2.87 58.78 34.71 1.71 0.02 0.08 0.15 46 G C T 43.26 4.67 17.48 22.88 99.16 -105.65 88.04 8.55 96.56 0.60 2.84 11.68 7.23 77.93 2.00 0.65 0.00 0.33 0.19 47 V C C 45.16 14.91 10.71 25.58 109.63 132.86 -91.42 112.11 89.22 5.08 5.71 74.98 8.58 5.23 2.62 3.21 0.00 3.16 2.22 48 Q C C 112.29 5.05 15.72 21.90 113.21 134.76 -101.21 122.61 86.87 6.80 6.33 67.63 11.42 7.54 2.18 4.16 0.01 4.46 2.59 49 Q C C 109.02 7.14 12.48 20.81 112.07 84.39 -93.87 119.31 85.88 9.15 4.98 57.69 21.56 6.51 1.61 3.59 0.00 5.40 3.64 50 S C C 57.68 7.20 10.71 19.33 118.91 96.74 -99.71 146.34 90.29 7.25 2.46 70.86 15.37 3.92 1.02 1.57 0.00 4.21 3.06 51 Q C T 146.87 1.67 13.15 15.62 105.43 -111.71 -76.98 108.64 89.11 5.58 5.30 19.39 30.09 40.37 1.87 3.10 0.02 3.67 1.50 52 G C T 46.65 3.96 13.37 18.49 116.28 17.82 114.07 -3.50 86.00 8.58 5.42 16.87 30.42 39.34 2.07 3.04 0.03 7.00 1.23 53 W C C 123.32 9.63 9.61 20.27 120.14 -62.93 -101.38 138.92 55.37 39.55 5.08 43.22 8.61 3.30 3.25 2.30 0.03 34.66 4.63 54 V E E 84.50 5.15 14.09 20.99 121.81 -161.69 -116.89 134.06 28.47 66.82 4.71 23.70 3.32 1.46 3.74 1.48 0.01 61.50 4.79 55 H E E 103.58 8.34 11.87 21.55 115.31 -140.76 -92.54 131.37 27.56 63.13 9.31 22.27 3.74 2.30 5.97 3.12 0.02 60.36 2.23 56 Y E E 126.43 6.33 11.91 19.59 112.50 -162.41 -100.28 119.85 34.98 43.30 21.72 20.70 9.06 8.88 10.38 9.50 0.11 39.38 1.98 57 M E E 111.66 4.79 11.48 17.82 116.53 -83.51 -103.98 126.54 38.57 41.98 19.45 22.31 10.24 9.96 8.74 9.51 0.14 36.50 2.61 58 I C E 106.87 4.48 10.41 16.62 114.79 -156.25 -104.76 120.35 43.40 41.08 15.51 26.29 11.38 8.87 7.92 7.47 0.33 32.41 5.33 59 H C C 116.66 4.66 8.77 15.27 116.91 -168.47 -108.11 132.79 68.87 26.66 4.46 46.63 16.50 6.32 2.12 2.49 0.03 21.41 4.50 60 E C C 139.19 2.20 9.85 13.60 115.19 -130.62 -100.89 128.29 88.52 10.79 0.69 54.45 28.49 6.08 0.16 0.60 0.00 8.41 1.79 61 P C S 99.48 2.84 8.83 13.24 106.88 -78.64 -75.70 131.50 96.79 2.30 0.91 29.07 47.20 20.65 0.12 0.89 0.00 1.54 0.52 62 E C S 135.98 2.44 9.41 13.37 116.86 -99.98 -97.96 135.08 93.64 5.06 1.31 33.92 45.40 14.57 0.19 1.26 0.00 3.27 1.38 63 P C C 94.52 3.02 10.11 14.58 110.70 -32.83 -74.99 140.77 91.76 5.30 2.93 36.55 24.43 31.12 0.40 2.70 0.00 3.95 0.86 64 H C C 118.58 5.63 9.94 17.27 114.86 -147.46 -97.26 119.93 70.56 25.08 4.36 38.32 16.05 17.26 0.96 3.44 0.01 21.34 2.64 65 I C E 87.07 6.54 11.54 19.92 120.79 -159.28 -112.58 131.89 50.85 45.76 3.40 36.22 11.74 4.20 1.32 2.22 0.02 41.04 3.25 66 L E E 90.78 6.77 12.90 21.33 113.49 -139.66 -89.25 125.12 41.76 54.85 3.39 32.00 7.30 2.88 1.20 1.92 0.00 52.92 1.77 67 L E E 84.92 7.75 13.41 22.49 105.29 -176.00 -99.25 -16.04 33.93 63.57 2.50 24.41 8.48 2.55 0.73 1.53 0.00 61.07 1.23 68 F E E 92.06 8.06 13.52 22.99 128.10 -16.10 -133.13 144.17 21.19 77.27 1.54 17.19 3.33 1.30 0.58 0.93 0.00 74.44 2.22 69 R E E 130.74 6.93 11.99 21.01 125.47 -167.51 -124.48 140.32 23.96 75.67 0.37 20.25 3.13 0.63 0.15 0.26 0.00 71.85 3.75 70 R C C 133.19 5.02 11.30 18.30 121.30 -163.02 -116.76 135.50 55.41 44.53 0.06 49.34 4.81 0.28 0.01 0.05 0.00 44.59 0.92 71 P C C 93.94 3.75 10.49 16.10 113.10 -106.58 -65.52 145.44 67.21 32.62 0.17 64.91 1.34 0.58 0.05 0.11 0.00 30.45 2.56 72 L C C 113.32 5.25 10.37 17.21 105.05 -114.54 -77.64 103.27 99.79 0.20 0.01 99.66 0.14 0.05 0.00 0.00 0.00 0.13 0.01