# 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 48.12 4.67 11.54 17.85 118.25 -166.81 -103.94 164.14 99.94 0.05 0.02 99.86 0.06 0.04 0.01 0.00 0.00 0.02 0.01 1 Q C C 137.53 2.38 9.42 13.48 111.76 -130.99 -95.96 127.75 82.85 6.23 10.92 75.08 2.27 6.42 4.85 4.85 0.00 4.02 2.52 2 A C C 80.50 3.11 8.22 13.19 113.61 -161.40 -94.65 134.57 71.22 8.69 20.09 41.19 17.19 14.07 5.43 13.95 0.03 5.93 2.22 3 F C C 141.03 4.39 8.78 15.02 113.90 -150.74 -95.64 125.15 66.41 10.40 23.18 41.45 14.76 11.39 5.70 16.90 0.02 7.74 2.04 4 R C C 145.73 4.83 11.29 17.91 114.44 -164.71 -97.98 130.79 68.46 11.68 19.86 48.50 12.97 7.89 4.93 14.33 0.01 9.73 1.65 5 K C C 131.04 4.97 14.67 21.05 114.46 -140.52 -95.81 127.13 70.88 18.79 10.33 50.30 13.90 6.98 2.92 7.22 0.01 16.58 2.09 6 F C C 59.96 16.98 12.08 28.62 121.05 -156.53 -107.98 134.21 59.63 39.20 1.17 52.02 5.70 0.90 0.64 0.66 0.00 31.34 8.74 7 L C C 84.86 6.87 21.76 29.28 116.35 -158.47 -113.08 120.48 63.06 36.80 0.14 60.51 2.10 0.14 0.07 0.07 0.00 34.26 2.85 8 P C C 32.17 19.72 13.52 32.78 114.39 -126.37 -70.82 142.68 63.10 36.08 0.82 60.37 1.85 0.56 0.36 0.47 0.00 29.39 7.00 9 L C C 74.63 9.40 18.98 28.94 114.59 -149.94 -103.01 130.57 89.92 8.52 1.56 68.16 17.18 4.04 0.37 1.39 0.00 4.90 3.95 10 F C T 100.22 8.25 20.59 28.76 112.76 -12.18 66.98 -146.59 94.02 4.40 1.57 4.71 41.94 47.73 0.15 1.37 0.00 3.12 0.96 11 D C T 62.12 13.72 18.95 32.24 99.18 -39.70 -77.96 35.84 96.08 3.01 0.91 12.28 36.37 47.37 0.07 0.98 0.00 2.61 0.32 12 R C C 53.93 15.42 22.26 37.67 132.64 110.63 -122.36 153.73 61.75 38.03 0.22 43.91 18.05 0.92 0.04 0.24 0.00 35.00 1.84 13 V E E 4.25 24.56 22.17 47.01 121.68 -136.80 -111.36 134.67 13.68 86.31 0.01 13.46 0.29 0.01 0.00 0.00 0.00 85.51 0.72 14 L E E 13.64 19.32 26.82 45.97 115.76 -143.73 -98.45 128.91 0.98 99.02 0.00 0.94 0.02 0.00 0.00 0.00 0.00 98.99 0.04 15 V E E 4.03 25.26 20.70 46.12 126.50 -169.44 -123.69 140.07 0.51 99.49 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 16 E E E 70.39 11.16 24.94 36.07 120.22 -145.78 -102.62 135.88 0.74 99.26 0.01 0.65 0.03 0.00 0.00 0.00 0.00 99.30 0.02 17 R E E 73.12 17.44 15.98 32.67 112.91 -118.51 -74.99 133.56 8.74 91.14 0.12 8.22 0.35 0.07 0.04 0.04 0.00 90.87 0.41 18 S C C 54.31 9.17 17.55 27.47 99.76 -155.23 -81.10 -26.20 71.82 26.04 2.15 42.68 24.61 4.60 0.34 1.76 0.00 25.18 0.81 19 A C C 58.86 5.39 17.46 23.69 129.85 4.85 -126.91 150.20 78.12 16.59 5.29 35.82 35.27 8.34 0.97 3.92 0.02 13.72 1.95 20 A C C 65.07 8.10 13.80 23.06 114.75 -116.58 -84.69 138.03 85.06 10.10 4.84 72.31 9.55 3.32 1.26 3.53 0.00 8.55 1.47 21 E C C 93.06 9.10 12.36 22.60 117.76 -132.17 -96.03 136.96 85.71 12.11 2.18 77.65 6.27 1.74 0.94 1.15 0.00 9.81 2.45 22 T C C 81.63 5.82 12.88 20.37 117.71 -153.34 -104.78 133.05 77.24 21.58 1.18 70.04 5.60 1.00 0.59 0.54 0.00 19.69 2.53 23 V E B 90.27 5.30 11.59 18.78 121.45 -150.22 -111.92 137.55 31.97 67.12 0.91 28.72 2.30 0.35 0.87 0.27 0.00 28.35 39.14 24 T C C 65.05 6.51 8.78 17.02 123.11 -143.80 -94.58 161.90 79.94 19.54 0.52 77.10 2.38 0.54 0.28 0.23 0.00 15.25 4.22 25 K C T 174.42 0.92 10.23 11.57 100.81 -93.05 -68.12 16.46 90.35 7.60 2.05 5.18 8.11 77.76 0.44 1.38 0.01 6.05 1.07 26 G C T 61.96 1.07 10.50 11.64 96.49 33.29 -41.18 2.06 97.66 0.76 1.58 3.09 8.11 86.52 0.28 1.23 0.00 0.56 0.19 27 G C S 51.38 3.16 10.90 15.29 99.14 -97.61 85.39 4.55 95.11 3.57 1.32 18.68 67.75 8.90 0.20 1.09 0.00 2.49 0.90 28 I C C 88.47 5.71 9.82 17.47 118.08 129.21 -92.78 140.01 75.06 24.48 0.46 46.07 28.64 1.85 0.20 0.34 0.00 16.85 6.05 29 M E B 112.49 4.72 13.34 19.77 115.04 -133.62 -92.36 130.06 25.05 74.49 0.47 17.31 6.30 0.65 0.40 0.18 0.00 32.44 42.71 30 L C C 52.62 12.91 9.90 23.57 118.23 -148.50 -99.37 137.00 79.28 20.41 0.31 71.48 6.72 0.42 0.17 0.14 0.00 19.34 1.73 31 P C C 59.27 5.57 14.16 21.55 113.98 -107.16 -64.22 148.74 87.32 7.84 4.84 78.04 6.74 2.33 2.71 2.11 0.00 6.40 1.66 32 E H G 134.67 4.04 12.16 18.13 93.02 -115.00 -59.76 -32.81 31.01 1.58 67.41 12.18 6.50 12.75 15.32 51.83 0.01 1.05 0.35 33 K H G 152.47 1.60 14.77 16.61 93.55 62.59 -70.37 -19.65 27.28 1.59 71.13 9.24 5.17 13.03 16.60 54.52 0.02 1.08 0.34 34 S H G 37.41 12.17 10.68 23.47 97.07 56.53 -86.88 -4.84 27.39 1.36 71.25 12.19 5.22 10.34 14.63 56.41 0.01 0.84 0.36 35 Q C T 92.60 10.03 12.16 22.94 107.85 104.96 -76.04 111.34 68.43 2.77 28.79 26.61 15.10 27.83 12.39 15.09 0.05 1.29 1.65 36 G C T 50.34 4.05 16.19 21.14 104.27 21.91 82.16 -2.85 90.36 2.62 7.02 30.63 26.01 34.36 2.35 4.22 0.01 1.52 0.91 37 K C C 115.35 5.63 16.64 23.54 116.15 91.18 -95.07 140.48 90.59 7.81 1.60 52.21 35.18 3.71 0.45 1.15 0.00 5.66 1.64 38 V C C 65.31 12.54 15.80 28.60 116.81 -122.09 -94.65 131.60 72.77 26.67 0.56 65.95 4.95 1.01 0.16 0.39 0.00 25.09 2.44 39 L E E 35.40 16.89 17.02 33.88 119.22 -160.83 -104.11 134.78 43.04 56.79 0.17 36.87 4.93 0.50 0.04 0.14 0.00 56.35 1.18 40 Q E E 84.42 9.81 23.73 33.70 124.39 -149.65 -110.86 137.64 10.16 89.80 0.04 8.32 1.54 0.14 0.01 0.03 0.00 89.65 0.33 41 A E E 7.06 21.90 17.66 39.54 140.42 167.06 -147.97 163.39 2.42 97.58 0.00 2.08 0.18 0.01 0.00 0.00 0.00 97.68 0.05 42 T E E 41.69 9.85 26.59 37.64 120.05 -118.34 -108.06 134.51 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 43 V E E 7.33 24.37 16.94 42.10 110.14 -122.35 -77.84 123.66 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 44 V E E 46.68 10.78 24.41 35.93 100.08 175.91 -94.83 -32.50 0.69 99.31 0.00 0.43 0.10 0.00 0.00 0.00 0.00 99.45 0.00 45 A E E 27.66 11.41 25.40 37.51 140.32 0.45 -154.59 150.78 0.97 99.03 0.00 0.67 0.12 0.01 0.00 0.00 0.00 99.18 0.01 46 V E E 32.46 21.67 16.85 37.21 125.94 -162.26 -126.23 134.68 4.80 95.18 0.02 4.12 0.47 0.05 0.00 0.01 0.00 94.98 0.37 47 G C C 15.71 12.59 19.26 32.32 126.78 -137.17 -92.16 171.95 59.09 40.78 0.12 46.66 10.51 0.87 0.02 0.13 0.00 41.09 0.73 48 S C C 72.26 5.27 21.80 27.31 105.61 -77.29 -73.29 119.28 79.96 19.76 0.28 45.17 28.91 5.20 0.03 0.34 0.00 19.55 0.80 49 G C C 23.83 13.89 15.41 29.10 122.63 -125.43 91.18 172.89 65.95 33.76 0.30 43.81 17.37 4.69 0.03 0.36 0.00 32.56 1.18 50 S E E 39.40 10.24 16.47 27.74 128.16 -132.24 -121.14 158.18 20.52 79.37 0.10 17.65 2.64 0.29 0.03 0.09 0.00 77.13 2.17 51 K E E 126.22 5.44 15.22 22.41 119.84 -122.77 -103.95 137.99 6.42 93.52 0.06 5.46 0.47 0.04 0.06 0.02 0.00 69.89 24.06 52 G C C 23.18 10.05 9.34 20.58 125.38 -139.90 -86.89 174.80 96.11 3.85 0.04 95.39 1.09 0.16 0.00 0.02 0.00 2.83 0.49 53 K C T 171.44 1.13 11.40 13.05 105.30 -69.25 -68.73 122.13 96.68 1.50 1.83 1.47 6.50 88.28 0.05 2.29 0.00 1.07 0.33 54 G C T 66.87 0.48 12.08 10.96 97.48 15.09 68.58 3.20 98.03 0.16 1.81 0.57 5.24 91.73 0.04 2.29 0.00 0.09 0.05 55 G C S 48.70 4.25 9.86 15.80 98.59 -86.90 85.07 3.56 97.96 0.42 1.62 13.12 80.90 4.07 0.08 1.45 0.00 0.21 0.17 56 E C C 117.58 2.11 13.38 16.47 117.85 133.94 -81.62 144.50 97.27 2.68 0.05 91.41 5.69 0.31 0.01 0.05 0.00 2.10 0.44 57 I E E 86.38 10.31 10.25 21.56 115.17 -122.84 -89.26 131.13 5.66 94.32 0.03 5.08 0.37 0.02 0.02 0.01 0.00 69.56 24.94 58 Q E E 80.26 7.13 15.44 24.19 124.06 -170.25 -118.11 139.31 27.28 72.70 0.02 25.98 0.99 0.04 0.00 0.01 0.00 72.04 0.92 59 P E E 84.62 6.03 17.45 24.75 114.74 -103.99 -65.40 145.91 44.55 55.36 0.09 39.93 3.42 0.27 0.03 0.08 0.00 52.60 3.68 60 V C C 27.89 20.26 11.56 31.15 114.08 -122.82 -87.53 133.34 93.85 6.04 0.11 78.84 14.28 0.96 0.02 0.12 0.00 4.85 0.92 61 S C C 66.91 5.05 23.89 29.15 108.46 -155.44 -98.71 65.45 92.38 7.55 0.07 80.74 11.33 0.59 0.02 0.07 0.00 5.07 2.17 62 V C C 10.97 23.96 11.50 35.08 124.09 131.55 -114.36 142.23 84.03 15.93 0.04 83.24 1.75 0.04 0.01 0.01 0.00 6.92 8.02 63 K C C 117.96 3.17 24.05 27.29 128.12 -156.89 -115.87 155.58 89.57 10.40 0.03 90.38 0.82 0.04 0.01 0.01 0.00 3.86 4.88 64 V C T 80.03 11.64 14.66 26.80 109.64 -84.61 -59.11 134.50 99.55 0.36 0.09 0.13 1.31 98.31 0.00 0.04 0.00 0.15 0.05 65 G C T 42.44 4.33 19.87 25.02 96.64 26.20 89.69 -6.97 99.93 0.05 0.02 0.18 1.39 98.37 0.00 0.01 0.00 0.03 0.00 66 D C C 34.95 13.55 16.27 31.21 118.39 134.66 -69.19 147.22 98.34 1.65 0.00 97.93 0.65 0.01 0.00 0.00 0.00 1.36 0.05 67 K E E 82.77 11.84 23.23 35.10 120.47 -135.88 -106.11 134.26 0.70 99.30 0.00 0.78 0.01 0.00 0.00 0.00 0.00 98.96 0.25 68 V E E 4.69 24.68 19.85 44.68 128.83 -172.77 -125.97 143.10 0.06 99.94 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 69 L E E 31.53 15.12 26.47 41.82 115.54 -138.02 -96.37 127.30 1.09 98.91 0.00 1.04 0.02 0.00 0.00 0.00 0.00 98.92 0.02 70 L E E 6.90 24.59 17.71 42.44 121.56 -166.80 -111.80 135.39 39.99 60.00 0.01 38.94 0.69 0.02 0.00 0.01 0.00 60.00 0.35 71 P C C 38.32 11.13 20.55 32.60 115.35 -110.06 -66.51 152.90 73.50 14.53 11.97 65.56 4.19 2.90 0.95 11.16 0.00 14.75 0.49 72 E C T 112.83 9.00 18.47 27.81 96.03 -104.07 -65.42 -25.82 74.06 1.28 24.66 3.16 15.18 54.00 0.74 25.78 0.00 0.83 0.30 73 Y C T 133.90 6.38 19.09 26.11 99.75 51.09 -93.29 15.86 72.64 2.10 25.26 4.56 11.22 54.57 0.81 26.93 0.00 1.42 0.49 74 G C T 20.94 15.93 15.43 30.78 108.83 121.82 -71.66 55.43 87.20 6.74 6.06 29.32 24.40 33.31 0.46 6.56 0.00 4.55 1.39 75 G C C 24.71 14.72 17.24 31.16 122.46 39.50 112.54 164.09 75.92 22.69 1.39 29.33 17.35 29.23 0.09 1.63 0.00 21.57 0.80 76 T E E 52.72 9.90 20.09 30.64 127.01 -114.99 -118.88 146.63 35.63 64.20 0.17 30.98 3.53 0.37 0.03 0.15 0.00 64.24 0.69 77 K E E 113.92 8.33 18.15 27.63 116.23 -122.04 -86.93 133.03 6.43 93.56 0.01 6.22 0.20 0.01 0.00 0.00 0.00 93.36 0.20 78 V E E 23.28 16.64 12.83 29.96 130.51 -176.74 -129.13 151.68 1.10 98.90 0.00 1.02 0.03 0.00 0.00 0.00 0.00 98.92 0.02 79 V E E 85.81 4.81 17.61 23.57 116.13 -132.39 -103.05 126.10 0.77 99.23 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.25 0.03 80 L E E 38.30 15.92 9.30 24.86 119.15 176.88 -129.06 119.39 5.86 94.07 0.07 3.62 1.20 0.54 0.01 0.06 0.00 94.40 0.18 81 D C T 115.93 2.43 13.19 16.76 94.86 -18.22 52.28 40.60 99.69 0.19 0.12 0.33 3.91 95.49 0.00 0.12 0.00 0.13 0.02 82 D C T 134.73 0.69 13.24 13.07 94.70 -45.97 66.09 14.04 99.81 0.10 0.09 0.32 3.94 95.58 0.00 0.09 0.00 0.07 0.01 83 K E E 96.76 6.40 12.16 20.56 127.02 100.29 -116.28 147.33 4.03 95.97 0.01 2.50 1.05 0.07 0.00 0.00 0.00 96.27 0.11 84 D E E 76.20 7.14 16.26 24.72 114.24 -122.59 -85.85 129.38 1.15 98.85 0.00 1.02 0.02 0.00 0.00 0.00 0.00 98.95 0.01 85 Y E E 30.26 17.45 15.44 33.44 133.06 -176.19 -133.32 153.73 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 86 F E E 30.21 15.86 21.72 38.15 120.61 -136.38 -109.71 134.13 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 87 L E E 26.97 16.79 23.74 40.47 115.41 -148.01 -99.95 125.87 0.80 99.20 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.25 0.01 88 F E E 9.20 23.40 17.96 41.43 128.40 -173.64 -121.28 148.05 7.84 92.16 0.00 7.83 0.14 0.00 0.00 0.00 0.00 91.80 0.23 89 R C C 98.51 7.26 25.28 32.67 119.37 -120.98 -81.01 153.15 55.50 44.43 0.07 55.74 0.62 0.04 0.01 0.04 0.00 42.96 0.58 90 D H G 56.88 17.48 15.96 32.62 91.61 -107.73 -58.39 -33.00 4.04 0.07 95.89 0.18 0.32 2.95 0.39 96.09 0.00 0.06 0.00 91 G H G 43.49 5.73 22.61 29.23 90.51 62.71 -69.53 -16.78 3.74 0.06 96.20 0.09 0.23 3.03 0.31 96.28 0.00 0.05 0.00 92 D H G 25.43 17.76 18.78 36.83 94.21 59.37 -90.87 -5.25 5.38 0.16 94.46 0.56 0.58 3.19 0.34 95.20 0.00 0.13 0.00 93 I E E 10.87 24.18 15.95 40.58 111.84 98.20 -79.74 122.53 10.01 89.96 0.02 9.64 0.61 0.03 0.01 0.02 0.00 88.85 0.85 94 L E E 56.91 10.84 23.15 34.56 99.47 178.03 -96.34 -26.30 7.04 92.95 0.00 4.82 2.04 0.04 0.00 0.00 0.00 93.06 0.04 95 G E E 12.98 11.02 23.17 35.31 146.23 -34.34 169.90 172.09 0.39 99.61 0.00 0.30 0.04 0.00 0.00 0.00 0.00 99.65 0.01 96 K E E 78.45 14.55 19.28 33.56 128.98 -108.19 -126.88 144.21 0.47 99.53 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.53 0.03 97 Y E E 65.63 14.93 14.58 29.83 116.66 -137.52 -99.83 128.85 11.60 88.37 0.02 10.63 0.53 0.05 0.01 0.01 0.00 88.42 0.36 98 V C C 76.19 7.55 13.74 22.92 121.79 -168.91 -117.70 139.40 63.61 36.34 0.05 61.28 0.75 0.17 0.01 0.03 0.00 37.32 0.45 99 D C C 112.08 3.15 15.21 19.64 107.40 -106.94 -77.89 103.26 99.86 0.13 0.01 99.74 0.13 0.04 0.00 0.00 0.00 0.09 0.00