# 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 P C C 90.08 4.61 14.09 20.23 112.66 -115.13 -70.27 145.62 99.91 0.04 0.04 99.76 0.12 0.07 0.02 0.00 0.00 0.02 0.01 1 R C C 140.10 6.19 10.66 18.58 114.75 -127.25 -89.23 133.39 85.73 3.41 10.86 81.85 1.33 3.57 6.51 3.22 0.00 1.66 1.86 2 S C C 59.04 5.04 12.03 18.70 119.19 -142.65 -97.92 147.43 71.06 7.73 21.21 56.26 7.71 6.56 9.72 11.67 0.00 4.47 3.60 3 L C G 97.38 8.92 10.19 20.03 96.24 -129.24 -71.41 -19.07 49.23 5.61 45.16 24.67 11.05 15.62 11.25 32.10 0.07 3.62 1.62 4 K C G 146.43 2.86 13.41 17.60 97.35 69.30 -77.30 -17.72 49.40 7.08 43.51 20.09 11.54 20.46 11.10 30.03 0.15 4.68 1.94 5 K C G 134.36 3.70 13.43 18.51 104.08 67.96 -91.90 7.72 57.75 6.72 35.53 23.09 18.50 18.92 9.45 23.36 0.22 3.69 2.78 6 G C C 28.10 9.05 12.22 22.44 130.75 -100.55 123.95 177.58 91.76 3.93 4.31 44.20 33.39 14.25 0.82 3.53 0.00 2.09 1.72 7 P C T 84.59 6.34 15.71 23.00 99.31 -35.06 -72.34 -7.13 92.79 3.16 4.04 25.77 32.90 34.55 0.60 3.36 0.00 1.98 0.83 8 F C C 94.53 10.86 16.08 27.25 105.15 65.45 -93.86 37.82 69.37 25.42 5.21 34.77 17.33 19.66 1.57 3.67 0.06 16.68 6.25 9 I C C 46.97 16.47 13.33 29.68 117.63 137.78 -96.47 127.89 71.14 26.99 1.87 59.73 8.93 1.07 1.48 0.65 0.00 16.31 11.83 10 D C C 56.92 9.99 16.86 28.01 107.64 -133.08 -87.15 111.04 93.93 4.47 1.60 92.93 1.29 0.49 1.19 0.23 0.00 2.91 0.97 11 L H H 91.05 7.15 16.01 24.73 93.92 -166.80 -66.53 -32.23 9.11 0.08 90.81 3.71 0.98 4.32 89.27 1.64 0.00 0.05 0.03 12 H H H 112.53 2.95 19.55 22.40 91.52 58.04 -64.32 -38.89 4.14 0.03 95.84 0.92 0.36 2.72 94.03 1.95 0.00 0.02 0.01 13 L H H 20.40 15.92 15.78 32.41 92.28 51.08 -65.44 -41.48 1.19 0.01 98.80 0.29 0.10 0.71 97.07 1.82 0.00 0.01 0.00 14 L H H 35.59 14.97 16.55 31.93 91.79 52.43 -63.08 -42.15 0.56 0.00 99.43 0.13 0.04 0.32 98.95 0.56 0.00 0.00 0.00 15 K H H 116.44 2.22 22.84 23.73 91.62 50.58 -63.94 -41.47 0.57 0.00 99.43 0.11 0.04 0.36 99.29 0.19 0.00 0.00 0.00 16 K H H 89.05 6.45 21.24 28.13 91.68 49.56 -64.98 -41.40 0.52 0.00 99.47 0.10 0.04 0.34 99.41 0.11 0.00 0.00 0.00 17 V H H 11.29 19.95 15.57 35.84 91.81 49.99 -64.14 -42.83 0.24 0.00 99.76 0.05 0.02 0.13 99.76 0.05 0.00 0.00 0.00 18 E H H 87.85 6.05 20.98 27.57 91.38 50.90 -63.04 -41.78 0.19 0.00 99.80 0.03 0.01 0.12 99.81 0.04 0.00 0.00 0.00 19 K H H 108.32 2.03 21.74 22.14 91.70 49.71 -64.42 -41.41 0.31 0.00 99.69 0.04 0.02 0.21 99.66 0.07 0.00 0.00 0.00 20 A H H 13.61 11.19 13.63 27.32 91.41 50.87 -63.62 -41.36 0.50 0.00 99.50 0.07 0.03 0.31 99.47 0.11 0.00 0.00 0.00 21 V H H 59.20 10.77 13.54 25.08 92.41 49.61 -64.96 -40.97 1.24 0.01 98.75 0.17 0.08 0.87 98.62 0.26 0.00 0.00 0.00 22 E H H 150.38 1.01 15.58 15.71 91.88 50.43 -66.80 -33.09 5.15 0.02 94.83 0.26 0.27 4.37 94.76 0.31 0.01 0.00 0.01 23 S H H 75.95 2.01 13.13 15.51 94.50 48.47 -86.70 -5.88 49.67 0.09 50.23 1.36 2.93 42.86 51.97 0.75 0.02 0.02 0.07 24 G C T 59.85 1.73 13.01 15.72 94.18 -114.91 76.68 15.57 99.03 0.07 0.89 11.86 7.87 79.47 0.45 0.28 0.00 0.04 0.03 25 D C C 71.44 6.40 11.33 19.54 112.95 136.50 -88.97 125.12 98.61 0.52 0.86 78.76 15.89 3.79 0.22 0.73 0.00 0.23 0.38 26 K C C 139.68 5.55 13.96 21.37 98.77 -166.75 -92.18 -0.32 98.75 0.66 0.59 77.65 18.17 2.77 0.10 0.61 0.00 0.32 0.38 27 K C C 114.87 4.04 18.49 23.77 119.28 113.76 -88.07 141.86 98.91 1.06 0.03 64.35 34.59 0.20 0.01 0.02 0.00 0.63 0.20 28 P C C 56.35 12.51 16.82 29.68 115.93 -103.91 -66.46 148.22 96.11 3.87 0.02 91.41 4.68 0.14 0.00 0.02 0.00 3.54 0.23 29 L E E 20.93 21.32 14.52 35.98 115.76 -125.48 -92.24 133.06 14.18 85.79 0.03 13.43 0.49 0.03 0.02 0.01 0.00 79.06 6.95 30 R E E 122.22 7.17 23.89 31.86 117.32 -144.35 -99.06 132.05 13.12 86.86 0.02 12.79 0.47 0.03 0.01 0.01 0.00 85.19 1.50 31 T E E 23.85 21.28 13.77 34.28 124.47 -165.66 -112.90 142.02 44.91 54.95 0.14 41.65 2.12 0.27 0.03 0.10 0.00 54.13 1.68 32 W C C 125.03 7.75 20.79 29.14 103.16 -160.35 -97.27 -10.86 78.23 21.16 0.61 43.78 31.55 3.69 0.10 0.59 0.00 18.63 1.65 33 S C C 34.87 12.73 16.49 29.81 125.12 57.66 -119.22 142.64 89.18 9.21 1.61 54.94 27.75 6.58 0.27 1.61 0.00 7.14 1.72 34 R C S 128.31 10.68 16.69 27.74 98.30 -164.88 -91.48 -11.53 84.62 4.90 10.48 29.49 34.30 21.45 1.01 9.37 0.00 3.23 1.14 35 R C S 147.39 4.25 20.59 25.47 104.65 63.36 -92.72 46.47 83.49 5.84 10.67 27.85 35.86 20.50 0.85 9.73 0.01 4.11 1.10 36 S C C 24.14 18.61 13.55 31.73 120.06 117.17 -96.76 144.77 74.47 15.00 10.54 56.21 13.36 4.72 1.03 9.69 0.00 13.76 1.23 37 T E E 61.23 8.57 23.47 32.62 120.68 -144.98 -109.25 134.39 37.40 61.50 1.10 31.69 3.91 0.77 0.52 0.75 0.01 52.80 9.56 38 I E E 31.00 21.19 15.44 36.55 117.25 -153.36 -102.08 127.45 29.50 70.37 0.13 27.71 1.52 0.08 0.10 0.06 0.00 49.44 21.08 39 F C C 61.24 11.20 19.06 31.20 113.22 -146.72 -91.69 122.37 98.34 1.63 0.03 97.85 0.85 0.03 0.01 0.01 0.00 1.13 0.13 40 P H G 72.73 9.65 16.35 27.10 91.62 -131.32 -59.24 -30.87 13.51 0.19 86.30 1.37 1.22 9.10 1.09 87.04 0.00 0.15 0.01 41 N H G 104.61 4.26 20.37 25.68 89.97 64.13 -68.58 -15.29 12.70 0.11 87.19 0.38 0.74 10.37 0.86 87.55 0.00 0.08 0.01 42 M H G 13.83 21.64 13.80 36.00 94.31 58.66 -93.42 -6.04 11.75 0.16 88.10 1.11 1.06 7.55 0.85 89.30 0.00 0.11 0.01 43 I C T 61.63 14.11 16.01 30.73 112.78 116.57 -62.76 132.94 96.94 1.34 1.72 0.62 1.56 95.64 0.23 0.81 0.00 0.49 0.65 44 G C T 43.86 4.08 22.18 27.07 94.09 22.36 84.37 -3.16 99.45 0.26 0.29 0.32 1.80 97.48 0.01 0.19 0.00 0.18 0.02 45 L C C 25.41 18.04 15.64 34.18 120.32 128.59 -79.60 147.75 95.09 4.88 0.03 89.51 5.14 0.12 0.00 0.03 0.00 5.04 0.15 46 T E E 42.96 10.51 24.98 36.24 118.30 -137.25 -105.46 130.07 1.47 98.53 0.00 1.45 0.05 0.00 0.00 0.00 0.00 98.31 0.19 47 I E E 4.46 25.29 18.33 44.31 123.81 -169.11 -118.94 134.85 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 48 A E E 16.60 12.82 25.74 39.60 118.20 -149.15 -102.27 131.54 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 49 V E E 7.28 22.25 19.32 41.93 120.82 -164.23 -114.98 129.86 0.45 99.54 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.57 0.01 50 H E E 42.48 12.61 19.10 32.89 114.96 -155.88 -104.42 121.48 7.43 92.52 0.06 5.96 0.96 0.19 0.01 0.04 0.00 92.62 0.22 51 N E E 60.36 9.52 16.72 27.77 101.49 176.14 -108.24 25.39 45.55 53.80 0.65 30.26 10.33 5.02 0.07 0.66 0.00 52.89 0.76 52 G C T 43.72 6.22 14.99 21.98 99.00 -89.05 77.96 -13.98 98.50 0.58 0.92 2.33 37.62 58.51 0.03 1.02 0.00 0.38 0.12 53 R C T 179.00 1.35 15.21 16.31 103.61 37.95 -98.97 -26.33 98.44 0.80 0.76 2.50 42.34 53.65 0.03 0.80 0.00 0.55 0.13 54 Q E E 116.78 2.22 16.83 19.41 126.85 33.00 -126.08 146.33 32.45 67.42 0.13 23.28 9.03 0.83 0.02 0.13 0.00 65.94 0.78 55 H E E 88.51 14.64 11.47 25.74 120.12 -132.49 -101.49 134.02 9.24 90.75 0.01 8.40 0.47 0.03 0.00 0.01 0.00 90.79 0.31 56 V E E 50.29 9.36 18.53 29.44 120.74 -168.87 -122.83 127.04 2.96 97.04 0.00 2.64 0.10 0.00 0.00 0.00 0.00 97.22 0.03 57 P E E 71.85 9.06 19.97 29.56 114.78 -119.51 -69.60 140.34 1.98 98.02 0.00 1.84 0.03 0.00 0.00 0.00 0.00 98.11 0.01 58 V E E 15.34 20.92 15.46 36.36 126.99 -173.64 -127.52 140.20 0.73 99.27 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.27 0.02 59 F E E 95.10 7.39 25.28 33.16 115.46 -135.13 -95.02 129.68 1.33 98.67 0.00 1.27 0.03 0.00 0.00 0.00 0.00 98.60 0.09 60 V E E 7.74 24.68 12.93 38.20 114.59 -146.44 -97.20 126.26 25.32 74.66 0.02 25.08 0.37 0.02 0.01 0.01 0.00 73.94 0.58 61 T C C 47.20 5.83 22.61 28.68 133.68 172.26 -127.45 170.40 94.88 4.99 0.13 92.41 2.71 0.13 0.05 0.05 0.00 4.30 0.35 62 D H G 97.21 7.78 15.04 24.19 90.92 -97.01 -60.40 -31.83 19.83 0.15 80.01 1.13 2.37 16.14 10.34 69.88 0.00 0.10 0.04 63 E H G 144.75 1.57 19.33 20.47 90.78 60.41 -69.62 -21.31 18.99 0.11 80.90 0.70 1.44 16.74 10.38 70.63 0.00 0.08 0.03 64 M H G 30.62 17.75 13.54 31.40 96.45 47.54 -96.19 -7.54 17.94 0.39 81.67 2.00 2.11 13.77 11.27 70.47 0.00 0.27 0.11 65 V C T 41.92 17.51 13.68 31.12 112.43 112.23 -65.41 133.78 76.26 4.83 18.91 4.87 5.62 65.28 12.28 6.76 0.19 2.72 2.28 66 G C T 38.86 7.23 20.28 28.36 95.89 21.33 83.72 -3.49 86.19 1.06 12.75 5.36 6.84 73.84 7.17 5.61 0.01 0.69 0.48 67 H C C 76.09 11.28 17.46 29.14 103.35 119.55 -76.52 -31.91 68.17 4.18 27.65 41.76 13.04 13.70 16.33 10.78 0.03 2.04 2.32 68 K C H 100.89 9.80 21.05 30.52 97.54 -99.36 -69.22 -28.32 46.17 11.47 42.37 14.80 11.48 20.75 23.28 16.37 1.64 5.28 6.40 69 L H T 41.39 18.70 16.04 33.66 100.22 5.36 -71.09 0.36 47.42 4.47 48.11 7.49 9.78 28.43 22.55 25.60 1.07 2.50 2.59 70 G H G 27.56 12.15 17.91 29.84 97.60 43.74 -4.94 -17.84 47.84 2.81 49.35 11.41 9.54 27.24 16.63 32.11 0.17 1.48 1.42 71 E C T 100.58 7.45 18.67 26.80 94.26 75.48 -73.23 -23.50 55.87 3.36 40.77 12.69 11.85 31.44 12.61 27.65 0.15 2.02 1.58 72 F C T 92.75 10.76 15.78 26.97 99.83 45.64 -98.57 -0.92 61.92 7.04 31.04 18.32 16.34 28.96 10.18 18.78 0.30 3.62 3.50 73 A C C 35.96 13.52 11.82 25.82 118.45 99.96 -89.49 140.65 87.87 5.54 6.59 48.28 34.85 5.06 3.19 3.15 0.01 2.92 2.54 74 P C C 85.80 5.62 14.54 21.46 106.75 -111.45 -68.70 131.52 85.40 4.85 9.75 55.53 15.92 13.86 3.09 6.79 0.00 3.21 1.61 75 T C C 86.19 6.26 12.21 19.90 111.46 -128.58 -94.25 122.72 81.02 9.77 9.20 53.86 14.44 12.49 2.97 6.43 0.01 6.31 3.50 76 R C C 142.65 5.97 11.96 19.50 114.35 -161.45 -100.71 120.26 80.36 13.75 5.89 57.81 16.40 5.62 2.80 3.34 0.01 9.41 4.61 77 T C C 88.91 4.38 12.44 18.69 118.87 -153.12 -105.86 134.63 79.53 15.29 5.18 60.43 14.04 4.71 2.72 2.62 0.01 11.30 4.18 78 Y C C 134.09 7.25 9.96 18.69 115.46 -147.81 -94.65 130.94 76.82 15.68 7.50 57.70 12.50 5.89 4.60 3.19 0.01 10.71 5.39 79 R C C 158.90 3.22 11.44 16.35 111.34 -160.26 -98.80 114.84 75.13 9.01 15.87 42.08 16.82 16.82 9.72 5.95 0.04 5.79 2.77 80 G C C 44.85 4.30 11.79 17.51 114.20 -17.41 94.64 -165.39 72.26 4.69 23.05 30.82 20.74 21.82 13.01 9.13 0.05 2.58 1.85 81 H C C 119.01 4.85 10.40 16.73 103.62 -59.00 -79.07 -7.76 60.43 5.06 34.52 32.19 14.37 14.88 19.61 13.94 0.07 2.76 2.18 82 A C C 68.74 4.35 10.56 16.37 100.14 76.40 -73.79 -25.97 54.56 3.05 42.39 24.20 13.11 18.08 20.90 20.66 0.07 1.65 1.33 83 A C C 72.58 3.78 9.49 14.89 100.17 64.73 -76.82 -16.90 58.57 2.55 38.89 24.34 14.49 20.54 18.28 19.73 0.06 1.31 1.25 84 D C C 103.19 3.11 9.14 13.89 102.52 66.34 -86.86 11.75 71.66 1.52 26.82 54.16 4.26 14.54 14.04 11.36 0.00 0.83 0.81 85 K C C 142.01 3.38 10.97 16.01 103.62 88.97 -82.80 24.74 99.75 0.08 0.18 99.39 0.21 0.24 0.09 0.02 0.00 0.03 0.02