# 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 Q C C 108.39 5.59 20.22 26.61 116.52 -155.43 -101.03 126.80 99.03 0.96 0.00 99.04 0.09 0.01 0.00 0.00 0.00 0.84 0.02 1 V E E 32.50 20.52 11.46 30.80 121.94 -161.02 -110.42 133.85 43.07 56.88 0.05 42.79 0.37 0.07 0.01 0.02 0.00 56.19 0.54 2 Q E E 95.15 4.82 22.92 28.20 122.10 -165.98 -116.06 134.80 10.65 89.30 0.05 9.65 0.69 0.08 0.01 0.03 0.00 89.16 0.37 3 L E E 38.59 21.80 12.17 32.85 121.13 -153.80 -108.57 132.94 7.44 92.52 0.04 6.97 0.32 0.04 0.01 0.01 0.00 92.50 0.15 4 K E E 106.49 5.42 23.07 29.33 125.18 -171.67 -124.59 139.06 6.26 93.67 0.07 5.36 0.63 0.10 0.02 0.03 0.00 93.65 0.21 5 Q E E 78.75 15.75 14.94 29.94 118.71 -140.76 -98.13 134.84 16.67 83.19 0.13 14.78 1.62 0.25 0.04 0.08 0.00 82.44 0.79 6 S C C 52.52 9.47 18.28 28.28 108.57 -171.87 -103.37 4.76 60.41 39.44 0.16 49.26 9.66 0.84 0.03 0.15 0.00 38.98 1.08 7 G C S 28.40 7.36 19.32 27.52 135.28 -62.09 128.27 -175.62 83.34 16.59 0.07 39.12 42.85 1.34 0.01 0.09 0.00 15.93 0.67 8 P C C 76.04 8.25 18.30 27.17 113.03 -35.66 -70.65 146.45 88.76 11.08 0.16 55.69 29.44 3.09 0.01 0.20 0.00 10.99 0.56 9 G E E 26.57 12.58 19.16 31.30 120.34 121.11 124.19 -158.95 47.47 52.39 0.13 22.05 24.69 1.90 0.01 0.16 0.00 50.26 0.93 10 L E E 71.68 11.83 21.61 33.27 118.97 -0.59 -105.76 132.73 12.58 87.35 0.07 9.79 2.83 0.23 0.01 0.06 0.00 85.74 1.32 11 V E E 18.79 20.31 16.44 36.54 125.42 -170.97 -122.81 136.06 8.51 91.46 0.03 7.64 0.66 0.02 0.02 0.01 0.00 85.25 6.39 12 A C C 42.70 7.81 22.91 31.01 120.01 -130.63 -85.08 152.81 89.61 10.37 0.02 88.88 1.06 0.07 0.00 0.01 0.00 9.26 0.72 13 P C T 52.43 14.48 14.88 29.27 108.88 -89.00 -61.33 140.72 99.29 0.42 0.29 0.38 3.32 95.72 0.01 0.24 0.00 0.27 0.06 14 S C T 82.14 3.67 19.75 24.21 94.78 17.18 75.91 6.19 99.35 0.36 0.29 0.54 3.59 95.31 0.01 0.26 0.00 0.27 0.03 15 Q C C 73.80 9.30 16.67 27.07 127.61 108.68 -105.11 154.41 91.24 8.49 0.26 54.99 35.79 0.75 0.03 0.27 0.00 7.44 0.73 16 S C C 59.21 9.06 19.70 29.49 124.80 -132.00 -106.65 146.20 54.23 45.75 0.02 53.88 0.64 0.05 0.00 0.01 0.00 44.78 0.64 17 L E E 13.40 22.47 15.22 37.65 127.28 -167.71 -127.09 139.76 2.20 97.80 0.00 2.24 0.04 0.00 0.00 0.00 0.00 97.61 0.11 18 S E E 49.75 8.69 25.05 34.31 122.75 -157.13 -116.07 134.52 0.54 99.46 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.46 0.01 19 I E E 5.66 25.21 16.58 42.45 122.57 -168.01 -119.79 130.85 0.92 99.08 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.09 0.01 20 T E E 52.90 8.48 26.64 35.73 122.17 -163.90 -113.70 133.10 2.82 97.18 0.00 2.65 0.06 0.00 0.00 0.00 0.00 97.27 0.02 21 C E E 4.79 25.16 16.04 41.62 129.85 -174.29 -130.22 144.48 3.40 96.60 0.00 3.20 0.07 0.00 0.00 0.00 0.00 96.69 0.04 22 T E E 53.80 8.06 27.04 35.86 122.65 -160.36 -119.08 133.91 1.79 98.20 0.01 1.67 0.07 0.00 0.00 0.00 0.00 98.09 0.16 23 V E E 8.79 24.50 15.32 39.94 119.73 -168.45 -119.48 126.77 11.31 88.61 0.07 10.70 0.51 0.07 0.02 0.04 0.00 88.08 0.57 24 S E E 56.01 6.72 22.18 29.55 125.99 -172.27 -117.65 145.87 41.17 58.38 0.45 18.07 13.42 11.39 0.04 0.47 0.00 55.89 0.72 25 G C S 48.10 3.73 22.07 26.25 96.48 17.80 80.83 5.47 68.26 31.37 0.38 14.80 38.04 14.83 0.02 0.42 0.00 31.20 0.69 26 F C C 33.09 21.19 12.50 32.86 122.22 122.86 -103.54 145.45 61.87 37.37 0.76 51.69 7.81 1.54 0.21 0.70 0.00 33.37 4.68 27 S C C 50.33 6.59 24.04 30.95 118.57 -142.26 -108.55 134.94 72.88 26.01 1.11 64.08 5.75 2.15 0.31 0.88 0.00 21.84 4.98 28 L C C 32.41 21.84 13.51 34.23 97.99 -155.46 -84.75 -2.28 77.05 12.58 10.37 35.22 19.05 24.03 1.94 8.25 0.04 7.81 3.66 29 I C T 105.40 5.14 20.54 26.15 96.46 84.10 -79.91 -22.41 85.37 5.79 8.84 8.56 23.08 54.23 1.31 7.13 0.01 4.17 1.51 30 N C T 87.22 6.58 20.93 27.70 102.47 27.12 -106.01 0.00 85.22 7.14 7.65 11.26 23.29 50.99 0.86 6.60 0.01 6.06 0.92 31 Y C C 29.23 20.51 16.21 36.12 133.93 57.51 -130.40 153.23 62.11 36.44 1.46 41.10 18.64 3.19 0.30 1.22 0.00 33.99 1.56 32 A E E 21.08 13.36 26.23 40.06 125.39 -143.60 -116.30 145.04 17.45 82.44 0.11 15.50 1.35 0.23 0.02 0.08 0.00 82.31 0.50 33 I E E 2.80 26.86 20.93 48.53 122.51 -152.29 -117.47 131.97 2.59 97.41 0.01 2.39 0.11 0.01 0.00 0.00 0.00 97.41 0.08 34 S E E 14.17 16.76 28.05 44.73 130.61 -176.62 -127.92 148.63 0.89 99.11 0.00 0.79 0.03 0.00 0.00 0.00 0.00 99.16 0.01 35 W E E 8.87 24.69 22.63 47.18 123.96 -150.44 -114.52 138.13 0.85 99.15 0.00 0.74 0.04 0.00 0.00 0.00 0.00 99.20 0.01 36 V E E 14.41 18.07 24.65 42.63 128.26 -170.46 -126.07 141.97 0.69 99.31 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.33 0.03 37 R E E 55.55 16.49 21.94 37.79 121.58 -154.87 -109.61 134.39 2.52 97.47 0.00 2.23 0.15 0.01 0.00 0.00 0.00 97.50 0.12 38 Q E E 52.46 13.48 17.74 31.78 115.91 -152.94 -103.67 122.94 39.99 60.00 0.01 36.93 1.73 0.05 0.00 0.01 0.00 60.79 0.50 39 P C C 43.90 9.02 15.07 25.84 117.08 -122.86 -70.78 154.48 96.62 3.21 0.17 93.21 2.62 0.76 0.03 0.14 0.00 2.89 0.35 40 P C T 97.34 5.06 12.45 19.43 109.32 -83.19 -59.07 135.93 97.30 0.24 2.45 0.97 5.62 90.22 0.07 2.89 0.00 0.15 0.08 41 G C T 68.84 0.36 13.13 11.25 96.27 15.75 82.79 -4.08 97.05 0.21 2.74 1.12 6.05 89.30 0.08 3.25 0.00 0.13 0.06 42 K C S 132.65 3.16 12.34 16.96 108.51 77.38 -107.40 -1.64 92.40 3.94 3.67 25.46 55.80 10.98 0.36 3.73 0.00 2.28 1.39 43 G C C 32.69 4.60 16.52 22.35 127.95 -114.41 92.82 -169.26 89.49 10.29 0.22 68.62 19.28 1.56 0.03 0.26 0.00 9.17 1.08 44 L C E 50.12 17.87 13.29 30.62 116.48 -29.89 -81.95 137.08 51.29 48.67 0.04 47.88 1.78 0.10 0.00 0.04 0.00 49.77 0.42 45 E E E 78.27 9.56 21.95 31.97 125.84 -167.95 -121.83 139.26 3.46 96.53 0.01 2.96 0.26 0.02 0.00 0.00 0.00 96.64 0.11 46 W E E 89.06 16.30 19.63 35.46 110.53 -114.30 -72.40 126.80 0.63 99.37 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.40 0.02 47 L E E 14.09 20.40 21.61 42.20 100.47 177.48 -98.54 -27.71 2.63 97.36 0.01 1.74 0.66 0.04 0.00 0.00 0.00 97.54 0.01 48 G E E 2.61 19.09 24.23 43.81 145.89 -36.47 171.04 172.01 0.87 99.13 0.00 0.64 0.10 0.01 0.00 0.00 0.00 99.25 0.01 49 V E E 19.12 19.85 25.21 44.36 128.87 -109.03 -132.18 141.94 0.65 99.34 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.37 0.01 50 I E E 10.12 21.87 22.27 44.04 119.51 -157.44 -112.84 128.22 2.44 97.55 0.01 2.07 0.17 0.02 0.00 0.01 0.00 97.65 0.09 51 W E E 57.53 14.93 21.67 36.65 120.88 -161.79 -108.79 135.44 14.41 85.47 0.13 11.93 1.82 0.34 0.04 0.08 0.00 85.31 0.48 52 T E E 49.75 14.44 17.02 31.08 109.38 -156.56 -95.20 91.84 46.50 52.04 1.45 19.87 15.96 14.03 0.21 1.31 0.01 47.02 1.59 53 G C T 52.95 4.23 17.84 22.80 101.75 9.66 56.14 6.15 90.77 7.42 1.82 8.29 30.32 52.29 0.13 1.85 0.00 6.31 0.81 54 G C T 46.50 6.06 15.62 22.69 110.03 -36.48 98.57 -0.93 94.12 3.63 2.25 11.45 36.57 46.13 0.16 2.30 0.00 2.77 0.62 55 G C C 37.32 7.70 15.91 24.42 124.08 103.45 -137.63 171.78 69.23 29.28 1.48 37.53 26.03 7.48 0.34 1.37 0.01 23.09 4.16 56 T C C 71.06 12.55 13.94 26.45 108.80 -128.76 -100.60 50.31 62.50 35.48 2.02 42.50 15.90 4.93 0.72 1.49 0.01 29.56 4.88 57 N C C 98.61 4.86 19.71 25.26 110.53 128.03 -99.68 104.92 66.77 29.19 4.04 45.50 15.61 5.99 1.92 2.31 0.02 23.98 4.65 58 Y C C 71.02 18.51 12.15 29.28 113.35 -143.93 -91.00 129.68 70.42 17.66 11.92 47.64 14.89 7.86 9.10 3.40 0.09 12.01 5.00 59 N C C 60.92 11.09 14.91 26.60 111.73 -124.82 -82.09 123.70 85.73 2.51 11.76 72.43 7.05 4.89 11.77 1.51 0.00 1.42 0.92 60 S H H 77.97 2.90 16.75 20.41 93.35 -134.79 -62.64 -33.95 12.36 0.22 87.42 3.25 2.46 7.05 79.74 7.20 0.08 0.12 0.09 61 A H H 55.71 5.17 17.68 23.81 92.34 55.77 -65.61 -37.19 9.11 0.18 90.71 1.32 1.05 6.51 82.28 8.59 0.08 0.12 0.05 62 L H H 10.93 22.57 12.44 34.45 93.62 47.16 -71.37 -35.66 6.55 0.23 93.22 1.31 0.79 4.26 83.26 10.10 0.05 0.19 0.05 63 K H H 91.67 13.76 15.73 29.09 91.62 61.42 -62.64 -34.84 10.75 0.44 88.81 1.65 1.13 7.39 79.90 9.21 0.27 0.31 0.13 64 S H H 87.10 1.40 21.35 21.34 91.29 56.00 -71.72 -20.79 38.36 0.24 61.40 1.16 1.55 35.69 55.50 5.73 0.10 0.15 0.11 65 R C T 87.30 12.38 17.71 30.09 98.66 43.75 -94.55 -16.05 54.13 0.49 45.38 1.70 3.79 47.47 41.90 4.49 0.10 0.33 0.20 66 L E E 7.75 25.09 12.35 37.26 126.06 61.48 -117.67 141.97 32.42 63.36 4.22 19.12 11.51 3.44 3.61 1.22 0.12 58.62 2.36 67 S E E 53.14 6.28 26.03 32.85 127.46 -172.72 -123.71 144.50 9.08 90.34 0.58 7.57 0.98 0.40 0.31 0.23 0.00 90.03 0.49 68 I E E 34.67 22.80 14.03 35.96 122.03 -155.31 -115.24 132.30 7.47 91.91 0.62 6.50 0.66 0.24 0.36 0.25 0.00 91.31 0.68 69 S E E 50.14 7.05 22.09 29.58 128.68 -173.42 -124.31 151.54 16.84 82.55 0.61 14.51 1.87 0.51 0.25 0.30 0.00 81.73 0.82 70 K E E 106.88 12.16 14.81 27.20 120.03 -138.59 -105.14 134.67 44.31 54.75 0.94 34.32 8.73 2.08 0.23 0.68 0.00 52.87 1.09 71 D C C 61.52 9.33 13.08 23.65 116.34 -149.59 -97.42 132.81 81.21 17.76 1.03 64.87 11.10 4.27 0.17 0.95 0.00 17.40 1.23 72 N C S 124.00 2.92 13.51 17.98 95.13 -133.93 -75.38 -8.13 91.17 5.54 3.29 17.45 41.74 32.35 0.29 3.10 0.00 4.10 0.96 73 S C S 71.07 3.49 15.37 19.62 97.31 66.95 -84.06 -6.50 88.07 6.82 5.11 13.24 39.54 35.99 0.52 4.49 0.01 4.29 1.92 74 K C T 99.02 11.52 14.96 26.38 98.93 -110.68 -3.79 21.95 93.75 1.60 4.65 7.81 37.63 48.23 0.40 4.38 0.00 0.98 0.57 75 S C T 42.87 11.69 17.77 29.74 100.21 96.60 -96.06 -0.59 94.72 3.05 2.24 10.87 38.78 44.94 0.15 2.31 0.00 2.49 0.45 76 Q E E 50.40 12.44 21.27 34.22 129.64 66.19 -125.15 143.94 45.49 54.00 0.51 33.72 10.40 1.54 0.13 0.50 0.00 49.37 4.33 77 V E E 5.70 23.39 18.66 42.51 124.65 -163.48 -121.40 136.78 22.41 77.56 0.03 20.98 0.91 0.08 0.01 0.02 0.00 77.04 0.96 78 F E E 40.18 13.31 25.81 39.70 121.76 -157.06 -113.53 133.17 5.74 94.25 0.00 5.21 0.26 0.02 0.00 0.00 0.00 94.37 0.14 79 L E E 3.84 25.39 19.93 45.90 120.75 -164.06 -113.82 130.75 0.87 99.13 0.00 0.88 0.02 0.00 0.00 0.00 0.00 99.08 0.02 80 K E E 71.25 11.13 27.11 38.50 119.17 -160.40 -110.88 128.47 0.48 99.52 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.47 0.04 81 M E E 7.37 24.73 16.72 41.89 119.82 -167.72 -111.66 129.52 14.05 85.93 0.02 14.10 0.17 0.01 0.01 0.01 0.00 84.47 1.22 82 N C C 68.40 8.01 23.81 31.92 120.68 -163.39 -100.31 155.17 85.40 14.47 0.13 42.77 36.56 5.10 0.01 0.21 0.00 14.94 0.40 83 S C S 55.66 6.99 24.56 31.84 103.32 8.09 58.98 93.30 92.68 7.20 0.12 31.08 54.61 6.42 0.01 0.19 0.00 7.20 0.49 84 L C C 11.87 24.92 11.86 36.68 114.98 -156.45 -75.99 138.16 91.50 8.45 0.05 90.58 1.13 0.06 0.02 0.03 0.00 5.67 2.52 85 Q C C 77.79 5.69 24.48 30.10 131.43 -165.47 -118.81 160.79 94.88 5.02 0.10 93.27 1.35 0.11 0.03 0.04 0.00 2.04 3.15 86 T C T 70.03 13.09 15.20 28.32 91.42 -103.25 -61.65 -27.89 82.43 0.37 17.20 1.00 3.83 76.41 0.30 18.11 0.00 0.21 0.13 87 D C T 107.05 2.45 21.03 23.45 92.61 56.70 -85.06 -3.04 80.78 0.37 18.85 1.33 4.15 73.68 0.25 20.23 0.00 0.25 0.10 88 D C C 19.99 20.09 14.45 34.33 109.36 107.49 -75.50 119.82 79.48 2.81 17.71 63.97 11.40 2.90 0.83 18.32 0.00 1.93 0.65 89 T C C 54.34 11.49 23.69 35.14 120.77 160.19 -110.49 138.97 66.79 32.59 0.62 62.77 2.91 0.73 0.18 0.41 0.00 30.49 2.51 90 A E E 7.96 21.83 19.22 40.69 134.54 148.11 -131.41 157.48 15.43 84.32 0.25 13.35 2.04 0.34 0.09 0.14 0.00 83.22 0.83 91 R E E 68.41 13.40 26.67 40.16 119.89 -126.15 -104.57 134.18 3.21 96.70 0.09 2.95 0.22 0.04 0.03 0.03 0.00 96.58 0.15 92 Y E E 5.89 25.68 20.96 46.87 124.71 -162.16 -116.19 138.79 2.15 97.75 0.10 1.94 0.16 0.04 0.03 0.03 0.00 97.67 0.12 93 Y E E 25.49 18.54 27.70 45.59 129.63 -172.68 -127.64 145.37 4.86 94.78 0.36 4.08 0.51 0.16 0.13 0.13 0.00 94.76 0.22 94 C E E 3.87 24.55 23.37 47.64 129.15 -168.55 -126.64 145.07 15.44 83.16 1.40 12.49 2.16 0.73 0.58 0.51 0.00 82.97 0.57 95 A E E 8.55 19.37 23.80 43.04 125.85 -152.73 -115.60 143.78 21.10 75.98 2.92 17.36 2.93 1.33 1.40 1.14 0.00 74.71 1.14 96 R E E 51.01 16.33 20.84 36.91 123.78 -156.07 -114.40 139.79 25.27 71.31 3.42 20.36 4.08 1.94 1.88 1.52 0.01 67.39 2.80 97 K E E 73.76 11.77 17.90 30.14 118.13 -149.16 -102.78 136.15 40.73 55.51 3.76 30.14 8.62 3.90 1.70 2.07 0.02 51.25 2.30 98 D C C 66.65 8.79 14.76 24.56 116.35 -147.83 -99.25 145.49 65.16 30.04 4.81 38.41 16.42 11.33 1.23 3.23 0.01 27.64 1.72 99 Y C T 145.48 5.52 12.88 19.61 101.18 -121.90 -81.03 -9.05 76.90 15.57 7.53 22.07 23.17 33.36 1.54 5.26 0.04 12.40 2.16 100 Y C T 163.11 2.74 12.48 16.23 103.30 36.26 -92.47 14.11 89.36 4.25 6.39 17.08 23.71 48.91 1.29 4.88 0.00 3.05 1.07 101 G C S 43.46 5.14 12.80 19.30 113.47 -39.98 96.28 15.81 87.93 8.70 3.37 26.26 33.08 29.30 0.48 2.84 0.00 6.74 1.29 102 R C C 135.37 5.75 14.10 21.30 117.84 -58.30 -98.58 134.93 71.86 25.43 2.71 45.92 16.44 9.84 0.65 2.21 0.01 22.18 2.74 103 Y C E 102.49 11.75 13.81 25.94 118.18 -152.71 -103.70 133.51 52.61 43.94 3.45 35.31 11.50 7.29 1.19 2.60 0.04 36.09 5.98 104 Y C E 95.52 11.64 16.72 28.69 116.94 -164.04 -108.96 133.14 53.88 41.45 4.68 33.31 12.42 10.66 1.44 3.27 0.04 35.40 3.45 105 G C C 25.04 13.18 18.04 31.01 119.38 -157.30 -118.90 160.38 61.19 32.79 6.03 31.42 17.59 14.87 1.46 4.14 0.04 28.14 2.33 106 M C C 59.56 15.58 17.69 32.78 119.24 -120.91 -106.06 134.15 58.25 31.52 10.23 34.97 14.02 11.48 3.26 6.48 0.07 26.35 3.36 107 D C C 61.10 12.64 20.14 32.56 114.08 -151.59 -98.75 121.55 57.65 31.02 11.34 35.25 13.58 11.25 3.46 7.18 0.08 26.20 3.00 108 Y C C 78.07 15.43 19.27 33.94 113.92 -172.45 -100.64 123.39 52.87 35.89 11.23 29.32 13.27 13.37 4.05 6.76 0.16 28.64 4.43 109 W C C 77.31 16.33 18.75 34.11 111.30 -164.50 -99.66 109.69 56.72 35.36 7.92 29.49 13.71 16.18 3.04 4.67 0.18 25.09 7.63 110 G C C 22.95 14.32 18.79 32.37 119.69 -146.60 79.29 -164.78 76.96 18.71 4.33 38.03 21.50 18.80 1.03 3.25 0.01 14.22 3.14 111 Q C C 103.00 8.76 19.96 28.75 102.79 -42.43 -83.25 17.19 80.09 15.57 4.34 28.05 27.43 26.08 0.88 3.25 0.02 11.50 2.80 112 G C C 29.00 12.57 17.89 30.07 112.05 -101.42 87.64 85.03 80.75 17.82 1.43 37.81 24.95 18.28 0.17 1.42 0.00 16.12 1.26 113 T E E 40.42 15.96 17.20 32.77 119.18 -108.71 -102.07 138.27 48.65 51.08 0.27 39.96 7.14 0.96 0.05 0.25 0.00 50.64 1.00 114 S E E 59.12 9.06 21.77 31.21 120.26 -142.72 -107.87 136.30 8.84 91.11 0.06 7.62 1.03 0.14 0.01 0.04 0.00 90.71 0.45 115 V E E 28.58 20.30 14.74 34.51 123.70 -169.50 -119.52 134.82 3.55 96.44 0.01 3.34 0.19 0.03 0.00 0.01 0.00 96.21 0.21 116 T E E 70.30 6.42 21.86 28.84 120.80 -156.52 -107.05 134.35 5.99 93.99 0.02 5.60 0.31 0.04 0.01 0.01 0.00 93.57 0.45 117 V E E 38.15 18.47 11.64 29.41 118.58 -158.53 -109.46 129.56 27.92 72.03 0.05 27.23 0.48 0.09 0.01 0.03 0.00 70.94 1.23 118 S C C 64.94 5.33 18.65 24.63 119.57 -163.64 -102.65 148.02 99.39 0.60 0.00 99.44 0.05 0.01 0.00 0.00 0.00 0.48 0.01