# 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 G C C 38.78 7.35 16.68 24.72 120.00 -146.60 133.93 172.07 99.61 0.38 0.01 99.45 0.19 0.07 0.00 0.00 0.00 0.26 0.03 1 V C C 72.84 11.16 12.10 23.85 119.83 -121.30 -106.46 137.44 69.38 30.19 0.43 66.33 1.60 0.60 0.15 0.23 0.00 26.30 4.79 2 R C C 133.73 5.61 15.80 22.80 118.20 -154.49 -100.15 135.97 53.30 46.04 0.66 42.78 7.87 1.60 0.22 0.57 0.00 41.37 5.59 3 T E E 64.97 9.67 12.20 23.02 123.39 -150.72 -111.31 143.16 43.61 55.73 0.66 34.82 5.35 0.63 0.45 0.33 0.00 35.61 22.81 4 S C C 31.42 9.87 10.53 21.98 122.44 -125.34 -84.15 165.96 91.78 7.87 0.35 85.95 4.69 1.06 0.09 0.26 0.00 5.79 2.15 5 P C T 115.64 2.19 12.49 16.02 91.16 -97.51 -63.68 -23.14 97.67 0.83 1.50 3.94 12.34 81.20 0.11 1.58 0.00 0.66 0.18 6 T C T 98.22 2.10 11.93 14.90 95.25 53.54 -88.76 -1.51 97.89 0.52 1.60 2.56 12.10 83.10 0.11 1.65 0.00 0.35 0.13 7 G C S 46.61 4.12 12.57 18.23 99.22 -103.38 86.49 4.87 93.75 4.72 1.52 25.40 62.54 5.95 0.17 1.47 0.00 2.80 1.67 8 E C C 90.86 6.46 12.52 20.91 116.94 139.57 -82.69 142.92 91.82 7.79 0.38 79.86 10.25 1.43 0.11 0.30 0.00 6.69 1.37 9 K E E 118.88 6.49 16.57 24.39 115.70 -123.15 -84.95 133.91 35.93 63.50 0.58 30.19 3.05 0.46 0.38 0.27 0.00 37.47 28.17 10 V E C 49.96 14.24 13.85 28.39 118.21 -147.67 -102.35 132.16 48.59 51.01 0.40 44.58 2.15 0.34 0.24 0.22 0.00 43.66 8.82 11 T C C 57.74 10.06 16.63 27.34 114.61 -167.92 -102.22 138.01 73.39 25.77 0.84 61.61 8.98 1.96 0.26 0.69 0.00 22.28 4.22 12 H C S 87.21 10.99 15.52 26.77 112.55 -131.02 -105.02 122.59 69.94 26.36 3.70 27.28 27.51 16.80 1.00 2.75 0.08 17.08 7.50 13 T C T 73.74 8.58 16.02 25.13 104.74 -31.03 -87.82 31.53 88.95 8.05 3.00 14.85 25.72 48.90 0.47 2.58 0.01 5.63 1.84 14 G C T 43.84 6.63 16.34 23.88 98.22 -75.53 83.89 2.97 90.93 7.49 1.59 23.79 30.92 36.66 0.14 1.65 0.00 5.76 1.07 15 Q C C 68.05 11.04 13.35 25.45 120.25 130.54 -94.21 143.95 74.75 24.70 0.55 61.39 11.14 1.41 0.16 0.48 0.00 19.05 6.35 16 V C C 91.64 5.35 17.72 24.42 119.53 -146.11 -108.35 135.79 62.40 37.28 0.33 58.11 3.17 0.39 0.15 0.20 0.00 25.48 12.51 17 Y C C 70.45 16.17 9.36 24.88 117.23 -133.42 -86.89 140.42 79.35 20.48 0.18 76.54 2.93 0.26 0.07 0.10 0.00 14.43 5.67 18 D C C 83.85 3.94 15.40 20.20 115.05 -136.48 -97.81 136.28 95.46 4.44 0.09 93.20 2.36 0.19 0.03 0.04 0.00 1.87 2.31 19 D C T 120.65 2.37 12.39 16.41 97.79 -108.42 -62.31 -2.15 98.85 0.37 0.79 1.41 4.75 92.82 0.13 0.53 0.00 0.21 0.15 20 G C T 57.30 1.81 13.86 16.17 94.90 45.19 -83.36 -0.99 99.30 0.16 0.55 1.89 4.78 92.71 0.08 0.41 0.00 0.09 0.04 21 D C C 45.82 9.35 10.08 21.34 107.04 118.43 -88.35 106.83 93.46 5.97 0.58 85.66 7.09 0.46 0.20 0.33 0.00 2.05 4.21 22 Y H G 111.86 9.69 12.64 23.66 94.00 -170.70 -71.59 -20.85 33.53 1.89 64.59 10.46 4.75 16.91 2.84 63.39 0.00 1.19 0.47 23 R H G 129.67 6.63 14.74 22.60 92.49 68.96 -73.97 -15.29 27.87 3.97 68.16 6.67 4.82 16.92 3.55 64.21 0.01 3.15 0.66 24 K H G 112.65 6.41 16.01 23.34 95.58 62.67 -83.70 1.43 26.77 4.91 68.32 11.13 6.38 10.32 4.19 63.27 0.00 3.97 0.74 25 V C C 46.09 12.77 10.97 24.58 113.30 113.74 -82.45 131.55 72.21 12.68 15.11 48.97 18.11 4.51 6.50 8.74 0.03 6.39 6.75 26 R C C 135.00 5.66 16.09 22.72 100.16 -149.51 -76.26 -7.31 75.12 14.14 10.74 35.15 24.90 15.37 4.28 6.15 0.11 8.32 5.72 27 F C C 87.54 9.97 11.43 22.25 106.58 50.06 -106.58 65.13 62.36 29.65 7.99 26.69 21.21 14.56 3.30 4.46 0.49 12.62 16.68 28 V C T 95.71 5.50 10.77 18.05 110.21 134.25 -71.52 127.02 89.07 7.46 3.47 6.02 9.21 73.83 0.87 2.34 0.02 4.79 2.91 29 G C T 66.56 0.63 13.67 12.98 95.73 10.81 81.13 -0.79 97.31 1.15 1.53 5.32 13.96 78.02 0.21 1.34 0.00 0.87 0.28 30 R C C 126.08 4.62 10.61 17.37 126.63 103.57 -114.61 152.96 88.69 9.79 1.52 50.87 35.30 3.00 0.47 1.06 0.00 4.42 4.88 31 Q C C 136.85 2.00 15.10 17.56 112.94 -100.16 -73.52 140.79 82.85 15.37 1.77 75.60 4.68 1.81 0.67 1.06 0.00 9.01 7.16 32 K C C 89.28 13.95 9.19 22.70 113.81 -110.66 -76.88 136.45 86.82 11.04 2.15 75.47 8.35 2.63 0.63 1.60 0.00 7.98 3.35 33 E C C 111.52 4.72 17.14 22.97 119.65 -156.59 -107.81 137.36 73.43 24.81 1.76 62.91 6.97 1.81 0.84 1.04 0.00 15.70 10.72 34 V C C 77.23 11.17 12.25 24.09 117.34 -135.43 -91.71 133.94 74.82 23.77 1.41 63.79 7.83 1.38 0.80 0.73 0.00 13.67 11.80 35 N C C 55.73 10.78 11.44 23.44 111.27 -130.52 -89.02 121.53 94.74 4.38 0.88 88.71 5.10 1.08 0.43 0.35 0.00 2.69 1.64 36 E C T 143.80 2.96 15.13 19.31 94.13 -153.59 -71.73 -18.55 87.55 0.88 11.56 11.83 16.60 59.28 7.26 4.10 0.01 0.53 0.39 37 N C T 95.27 5.10 14.51 20.76 98.16 57.23 -93.05 8.69 87.15 0.99 11.86 13.98 14.47 58.84 7.69 3.97 0.01 0.50 0.54 38 F C C 59.36 10.87 13.89 26.08 112.02 116.32 -77.32 143.19 66.26 3.59 30.14 54.62 6.60 4.75 27.29 3.09 0.00 1.23 2.42 39 A H H 34.14 13.55 15.63 29.47 94.46 -114.88 -62.98 -37.95 10.48 0.24 89.28 7.17 1.38 2.71 85.12 3.42 0.00 0.12 0.08 40 I H H 70.86 9.25 17.21 27.21 92.38 53.01 -65.41 -40.31 2.98 0.11 96.91 1.21 0.44 1.49 92.41 4.35 0.01 0.07 0.02 41 D H H 78.66 3.51 19.23 22.90 92.11 50.75 -65.68 -38.64 1.98 0.11 97.92 0.74 0.26 1.02 93.02 4.85 0.01 0.08 0.01 42 L H H 43.34 10.43 15.99 27.77 92.21 51.41 -65.17 -40.79 2.53 0.10 97.37 0.86 0.33 1.40 93.22 4.08 0.01 0.08 0.02 43 I H H 41.09 14.83 14.22 29.42 92.16 51.79 -64.70 -39.15 3.53 0.05 96.42 0.62 0.34 2.52 88.20 8.26 0.01 0.03 0.02 44 A H H 64.76 6.05 16.10 23.31 91.26 57.22 -68.34 -24.28 21.32 0.04 78.64 0.93 0.88 18.94 70.82 8.38 0.01 0.02 0.03 45 E H H 131.43 2.66 17.04 20.00 94.22 55.90 -85.30 -10.24 48.03 0.09 51.88 1.83 2.67 41.66 45.70 8.03 0.01 0.03 0.06 46 Q C S 61.40 14.19 10.49 24.65 118.09 91.21 -89.05 138.23 99.36 0.46 0.19 21.20 78.00 0.30 0.13 0.02 0.00 0.13 0.21 47 P C C 87.79 3.09 19.90 22.93 115.46 -104.50 -65.74 149.01 98.49 1.46 0.05 96.86 1.73 0.17 0.01 0.03 0.00 0.97 0.23 48 V C C 61.64 18.07 10.99 27.79 115.35 -108.67 -79.05 136.15 79.89 20.05 0.06 74.83 4.43 0.21 0.01 0.06 0.00 19.70 0.76 49 S E E 52.51 7.35 19.14 27.63 125.66 -170.20 -121.93 142.71 6.06 93.91 0.02 5.46 0.52 0.04 0.01 0.01 0.00 92.88 1.08 50 Q E E 117.20 5.69 17.94 25.32 113.49 -116.46 -76.12 133.13 4.98 94.99 0.03 4.73 0.23 0.03 0.01 0.02 0.00 93.81 1.18 51 V E E 29.43 18.36 10.00 27.56 120.30 -170.31 -111.96 139.50 47.22 52.63 0.14 46.52 0.87 0.17 0.03 0.09 0.00 51.20 1.12 52 G C S 58.97 1.61 19.38 20.38 97.01 -153.83 -86.58 -12.32 83.32 16.20 0.48 35.08 39.86 7.57 0.03 0.56 0.00 16.27 0.62 53 S C S 53.80 6.34 18.15 25.62 131.94 52.23 -126.36 158.13 89.50 9.99 0.51 11.63 66.99 9.76 0.02 0.50 0.00 10.65 0.45 54 R C S 111.36 13.33 16.27 29.35 97.27 -135.81 -86.34 -11.81 80.88 18.82 0.29 28.57 48.83 2.33 0.02 0.29 0.00 19.52 0.44 55 V E E 59.95 9.47 21.42 31.90 125.57 58.14 -123.31 134.59 14.54 85.43 0.03 12.92 1.37 0.07 0.01 0.02 0.00 85.23 0.39 56 I E E 15.91 22.42 16.83 39.11 127.48 -172.71 -125.94 139.39 1.47 98.53 0.00 1.35 0.04 0.00 0.00 0.00 0.00 98.51 0.09 57 S E E 42.92 10.83 25.49 36.69 126.92 -158.71 -116.27 144.86 2.12 97.87 0.01 1.97 0.07 0.01 0.00 0.00 0.00 97.89 0.07 58 C E E 12.58 22.71 16.25 38.38 130.83 -168.00 -131.16 148.04 20.93 79.02 0.05 19.00 1.35 0.11 0.01 0.03 0.00 78.76 0.74 59 D C C 68.26 8.16 22.99 31.56 102.51 -137.56 -89.96 56.10 66.89 32.89 0.22 59.72 5.04 0.76 0.05 0.19 0.00 32.41 1.83 60 G C C 25.65 14.45 15.66 29.78 98.68 -145.66 47.62 -0.51 93.10 5.70 1.20 63.02 20.10 9.73 0.22 1.26 0.00 3.87 1.81 61 G C S 39.99 7.62 16.32 24.81 110.30 -121.06 84.26 87.73 92.58 4.34 3.08 31.98 38.74 21.50 0.38 3.08 0.00 2.05 2.26 62 G C S 52.75 3.49 14.76 19.66 116.33 -95.74 111.09 159.19 89.66 4.54 5.80 30.15 41.35 17.18 0.78 5.42 0.00 1.49 3.63 63 G C G 48.92 2.52 14.78 18.23 122.10 14.68 82.90 -159.50 55.86 0.98 43.16 6.62 16.81 29.17 1.28 45.05 0.00 0.42 0.65 64 A C G 90.96 2.42 14.30 17.70 93.67 -35.14 -70.26 -20.33 54.85 0.30 44.85 1.79 6.31 42.54 0.93 48.11 0.00 0.15 0.17 65 L C G 86.22 8.69 13.97 23.58 96.49 54.19 -89.38 -3.23 57.36 0.83 41.81 3.36 8.16 42.88 1.45 43.26 0.00 0.43 0.45 66 G C C 28.38 9.59 16.67 27.13 110.17 -118.66 74.92 22.41 85.57 8.06 6.37 50.22 22.61 11.54 1.22 5.45 0.00 2.79 6.18 67 H C C 61.43 15.07 16.48 31.30 120.47 -39.22 -98.21 138.51 91.35 8.49 0.16 68.85 22.71 0.54 0.04 0.13 0.00 4.79 2.94 68 P C C 34.37 13.81 19.57 33.94 115.78 -106.60 -67.29 149.98 91.23 8.72 0.05 77.95 12.71 0.47 0.01 0.06 0.00 7.93 0.87 69 R E E 100.76 13.81 20.33 33.44 117.82 -130.66 -97.76 134.04 15.45 84.53 0.02 12.94 2.84 0.09 0.00 0.01 0.00 83.29 0.82 70 V E E 20.29 18.84 18.86 37.76 126.33 -171.97 -125.49 137.76 0.64 99.36 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.36 0.03 71 Y E E 73.85 12.45 23.80 36.43 117.89 -149.56 -103.29 129.74 0.62 99.38 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 72 I E E 9.12 23.09 17.84 41.22 120.64 -166.13 -115.36 128.23 3.33 96.66 0.00 3.01 0.14 0.01 0.00 0.00 0.00 96.72 0.12 73 N E E 49.33 8.65 24.44 34.10 108.31 -143.12 -93.67 111.17 15.65 84.26 0.09 14.67 0.64 0.09 0.02 0.05 0.00 84.00 0.53 74 L C C 16.21 22.26 14.13 36.49 96.77 -171.82 -82.10 -9.29 75.48 13.98 10.54 38.84 16.67 21.24 1.98 7.94 0.01 11.82 1.49 75 D C T 87.03 6.49 18.31 25.50 95.26 71.55 -78.71 -11.76 79.15 8.54 12.31 25.08 26.75 28.72 2.76 8.68 0.03 5.48 2.50 76 K C S 111.23 5.25 15.23 21.75 116.78 78.95 -96.06 141.63 79.21 5.01 15.79 23.41 30.88 26.20 3.86 10.65 0.11 2.85 2.05 77 E C T 131.17 4.92 14.52 20.96 103.38 -112.48 -75.77 36.74 88.25 3.71 8.04 31.36 24.92 32.60 2.36 5.32 0.02 2.15 1.29 78 T C C 58.61 9.02 13.60 23.72 125.23 93.22 -113.31 157.93 88.94 6.25 4.80 38.20 28.29 23.08 1.48 3.32 0.00 3.92 1.71 79 K C S 123.91 7.59 17.22 25.46 97.44 -129.20 -80.48 -9.77 90.16 8.85 0.98 29.39 52.56 8.12 0.18 0.84 0.00 7.89 1.02 80 T C E 62.39 9.99 18.72 29.15 125.65 44.27 -121.31 141.08 53.74 45.96 0.30 40.13 10.70 2.25 0.04 0.30 0.00 45.65 0.92 81 G E E 12.77 14.74 19.32 34.41 139.02 160.80 -155.60 172.28 12.18 87.76 0.06 10.14 1.69 0.21 0.01 0.05 0.00 87.26 0.63 82 T E E 61.12 9.56 24.44 34.43 125.82 -105.43 -118.70 142.45 3.17 96.81 0.01 2.93 0.16 0.01 0.01 0.01 0.00 90.91 5.97 83 C C C 4.92 24.58 13.62 39.04 109.96 -115.54 -76.42 127.64 79.06 20.91 0.03 79.53 0.46 0.07 0.00 0.02 0.00 18.90 1.03 84 G C T 34.53 8.63 22.27 31.74 94.06 -147.54 -69.96 -28.02 99.40 0.16 0.44 0.48 5.62 93.29 0.01 0.47 0.00 0.10 0.03 85 Y C T 98.59 11.27 20.25 31.35 100.46 43.35 -84.64 -38.17 99.58 0.06 0.36 0.10 3.28 96.27 0.00 0.29 0.00 0.02 0.02 86 C C T 36.72 13.30 18.33 32.14 102.14 17.02 -108.04 -9.26 99.60 0.12 0.28 0.34 3.59 95.71 0.01 0.26 0.00 0.06 0.02 87 G C C 27.91 9.22 21.26 31.52 95.48 -119.87 80.32 8.16 98.74 1.17 0.09 88.87 4.18 5.76 0.02 0.08 0.00 0.78 0.32 88 L C C 25.60 17.55 17.33 35.72 116.96 149.91 -75.87 140.98 91.59 8.41 0.01 91.85 0.67 0.02 0.00 0.00 0.00 6.96 0.50 89 Q E E 60.04 11.79 24.27 36.17 119.46 -141.29 -102.11 132.61 0.81 99.18 0.00 0.80 0.02 0.00 0.00 0.00 0.00 98.23 0.95 90 F E E 12.95 23.29 16.76 39.98 127.55 -169.69 -122.07 144.42 1.49 98.51 0.00 1.42 0.04 0.00 0.00 0.00 0.00 98.49 0.05 91 R E E 90.16 9.19 23.36 32.85 123.95 -151.30 -113.83 138.32 11.82 88.09 0.09 11.23 0.46 0.07 0.03 0.05 0.00 87.27 0.88 92 Q C C 57.26 15.77 13.78 29.39 113.27 -116.71 -77.32 135.44 56.40 41.22 2.37 47.20 6.02 2.48 0.46 2.02 0.00 40.30 1.53 93 Q C C 98.12 6.90 14.21 22.30 112.85 -148.26 -91.59 131.00 90.22 6.59 3.19 48.51 26.89 14.46 0.35 3.31 0.00 5.72 0.75 94 H C C 136.02 3.71 11.91 17.16 109.19 -129.99 -88.05 103.61 94.41 2.49 3.10 73.30 6.71 14.12 0.44 2.98 0.00 1.83 0.63 95 H C C 111.24 7.43 11.36 19.97 109.04 153.08 -96.40 85.03 99.81 0.15 0.05 99.57 0.17 0.14 0.01 0.01 0.00 0.08 0.02