# 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 R C C 157.67 3.80 11.82 17.47 116.31 -162.38 -99.10 134.26 99.87 0.11 0.02 99.81 0.07 0.04 0.01 0.00 0.00 0.05 0.01 1 G C C 50.00 3.89 9.20 14.86 119.53 -156.37 -105.63 162.78 91.06 5.61 3.34 85.66 1.37 4.70 1.32 1.30 0.00 4.39 1.26 2 R C C 175.45 1.85 8.92 12.24 113.69 -125.41 -93.76 131.51 78.98 13.58 7.44 52.51 15.13 11.38 2.42 5.10 0.01 10.64 2.81 3 L C C 116.59 3.95 7.66 13.47 114.61 -146.89 -94.37 129.87 70.09 20.31 9.60 46.59 14.18 9.59 3.15 6.54 0.02 16.79 3.14 4 H C C 131.56 3.57 9.09 14.56 116.13 -153.29 -98.88 132.79 66.85 24.18 8.97 48.38 11.26 6.99 3.46 5.62 0.02 21.01 3.26 5 R C C 167.84 2.61 10.40 14.83 114.60 -139.62 -92.17 131.79 69.14 23.37 7.50 51.57 11.21 5.70 3.58 4.17 0.02 19.59 4.17 6 C C C 83.97 5.37 8.41 15.49 114.22 -144.48 -93.43 130.45 78.44 14.43 7.13 57.21 14.01 6.84 3.23 3.94 0.00 12.29 2.46 7 S C C 79.58 3.19 10.26 15.13 111.77 -149.10 -92.89 127.00 80.02 11.06 8.91 54.95 14.27 10.66 3.13 5.80 0.01 9.03 2.16 8 R C C 161.63 3.26 9.58 14.63 111.54 -143.50 -93.89 125.23 78.18 9.77 12.05 44.87 18.14 15.57 3.17 8.67 0.01 7.04 2.52 9 S C C 82.34 3.16 9.48 14.35 111.38 -138.95 -91.06 127.34 82.39 7.44 10.18 44.60 19.09 18.85 2.20 7.99 0.00 5.34 1.93 10 S C C 80.79 3.34 9.56 14.67 111.82 -146.31 -94.18 129.36 85.09 8.16 6.75 45.87 25.10 14.45 1.53 5.28 0.00 4.79 2.98 11 D C C 109.74 2.72 11.04 15.45 114.77 -128.84 -97.73 125.42 96.36 3.32 0.32 55.93 39.86 0.98 0.10 0.20 0.00 1.66 1.28 12 P C C 79.82 6.81 9.55 18.05 115.56 -113.32 -69.77 148.17 98.92 0.88 0.20 86.57 10.79 1.60 0.05 0.15 0.00 0.49 0.34 13 P C C 90.63 4.71 10.86 17.39 112.30 -104.05 -67.68 148.18 98.51 0.99 0.49 82.39 11.38 4.68 0.10 0.42 0.00 0.51 0.52 14 S C C 79.24 3.41 11.26 16.50 116.71 -108.87 -86.16 145.82 97.52 1.98 0.50 76.28 18.18 2.96 0.12 0.41 0.00 0.95 1.10 15 P C C 99.69 4.46 10.27 16.56 109.84 -103.88 -76.81 133.38 96.05 2.40 1.55 69.36 21.91 4.69 0.52 1.00 0.00 1.21 1.31 16 T C C 81.20 5.53 10.02 17.28 116.70 -132.81 -95.14 134.21 93.41 2.47 4.11 69.74 18.91 4.69 2.20 1.80 0.00 1.18 1.49 17 P C C 89.70 4.23 11.18 17.02 109.15 -115.49 -71.91 141.47 74.14 2.34 23.51 47.16 11.84 15.06 12.89 10.62 0.01 1.24 1.19 18 Q C C 121.08 4.60 10.85 17.01 104.22 -123.90 -81.90 36.10 59.04 2.26 38.70 27.48 13.06 18.91 21.62 16.61 0.04 1.17 1.11 19 E C H 125.73 4.13 11.89 17.43 105.03 89.72 -84.71 35.48 52.56 2.95 44.49 25.23 12.42 15.42 25.57 18.47 0.07 1.62 1.20 20 S C C 63.88 6.27 12.05 19.66 105.82 75.44 -86.79 53.75 52.53 3.22 44.26 29.86 10.74 12.48 27.12 16.78 0.04 1.74 1.24 21 M C H 92.88 9.19 11.16 21.11 103.05 79.49 -82.91 11.60 52.11 3.97 43.92 26.53 11.91 14.54 26.71 16.47 0.10 2.14 1.60 22 D C C 95.39 5.30 14.26 20.69 100.64 58.72 -81.04 0.51 58.97 3.76 37.27 28.70 13.46 17.38 22.19 14.64 0.07 2.08 1.49 23 T C C 73.83 8.04 13.43 22.50 105.08 78.50 -88.52 17.14 68.04 3.70 28.26 31.73 19.66 17.61 15.86 11.64 0.05 2.07 1.39 24 Q C C 106.43 6.05 17.41 24.18 105.82 77.43 -84.68 63.61 78.02 9.27 12.72 46.70 19.63 12.54 5.50 6.62 0.02 7.38 1.61 25 V C C 37.24 19.02 12.76 30.89 118.05 97.11 -97.52 133.68 72.05 26.58 1.37 62.02 7.42 1.44 0.60 0.70 0.00 26.54 1.27 26 K E E 84.69 10.47 22.57 32.94 125.89 -165.65 -116.04 142.32 31.21 68.43 0.36 27.89 2.56 0.38 0.15 0.20 0.00 67.50 1.33 27 L E E 54.84 14.34 21.83 35.85 115.52 -121.75 -82.69 134.17 14.40 85.50 0.10 13.02 1.09 0.14 0.02 0.05 0.00 85.27 0.40 28 A E E 6.16 22.00 18.54 40.50 134.29 -176.57 -132.98 157.09 7.24 92.74 0.02 6.27 0.57 0.04 0.00 0.01 0.00 93.05 0.06 29 V E E 45.48 10.03 25.94 36.90 118.80 -131.06 -108.09 130.90 1.30 98.70 0.00 1.14 0.04 0.00 0.00 0.00 0.00 98.79 0.02 30 V E E 11.44 22.89 15.27 38.79 109.64 -121.15 -77.25 123.30 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 31 V E E 63.43 7.04 21.84 29.94 101.05 174.73 -97.84 -32.62 0.63 99.37 0.00 0.41 0.09 0.00 0.00 0.00 0.00 99.49 0.00 32 K E E 93.06 5.00 23.97 29.60 138.14 -0.71 -152.00 149.12 0.32 99.68 0.00 0.21 0.04 0.00 0.00 0.00 0.00 99.75 0.00 33 V E E 49.46 18.46 14.28 31.86 116.89 -144.07 -108.07 123.56 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 34 M E E 76.19 8.12 18.36 27.65 110.75 -169.13 -99.40 96.50 3.28 96.71 0.01 2.61 0.33 0.04 0.00 0.00 0.00 96.97 0.04 35 G E E 31.54 7.10 17.44 25.61 134.18 -79.87 140.77 172.29 14.41 85.56 0.03 8.64 4.98 0.46 0.00 0.03 0.00 85.79 0.10 36 R E E 127.97 7.29 13.74 22.74 124.63 -97.98 -119.10 143.55 15.63 84.28 0.09 13.58 1.57 0.19 0.03 0.07 0.00 82.66 1.90 37 T E E 76.31 6.59 10.74 19.07 120.31 -143.70 -105.05 143.03 41.46 58.13 0.41 35.32 4.96 0.80 0.15 0.32 0.00 54.96 3.50 38 G C T 44.68 2.93 11.57 15.80 122.93 -0.36 92.31 -169.50 84.72 5.71 9.57 24.62 25.17 34.61 0.63 9.92 0.00 3.97 1.08 39 S C T 103.66 0.62 10.30 10.61 93.77 -62.83 -68.35 -21.02 86.74 0.84 12.41 2.99 15.03 66.21 0.45 14.45 0.00 0.49 0.37 40 R C T 180.62 1.08 11.29 12.35 96.86 50.43 -88.88 2.40 87.19 0.52 12.29 2.30 10.58 71.74 0.42 14.42 0.00 0.30 0.24 41 G C S 39.40 6.68 11.31 19.44 99.49 -104.82 81.81 5.30 89.57 2.80 7.63 23.43 33.77 31.96 0.57 7.78 0.00 1.66 0.83 42 Q C C 86.33 5.60 15.70 22.62 116.71 136.61 -84.18 144.78 77.74 21.54 0.72 64.16 10.00 2.89 0.19 0.64 0.00 18.70 3.41 43 V E E 37.94 14.84 13.83 29.20 114.57 -117.31 -86.21 130.53 20.81 79.15 0.04 19.65 0.76 0.06 0.02 0.03 0.00 77.78 1.71 44 T E E 44.83 10.49 19.53 30.92 103.38 -173.54 -100.75 -15.89 17.19 82.79 0.02 14.10 1.64 0.05 0.00 0.01 0.00 84.13 0.07 45 Q E E 50.31 11.71 20.91 33.20 132.80 8.45 -136.58 146.90 1.40 98.60 0.00 1.15 0.08 0.00 0.00 0.00 0.00 98.75 0.01 46 V E E 10.40 20.76 17.65 38.79 124.24 -163.41 -122.63 136.36 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 47 R E E 69.04 10.44 24.00 35.14 118.34 -154.71 -106.77 129.32 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 48 V E E 9.64 21.51 17.16 39.01 124.11 -169.72 -120.03 136.45 0.56 99.44 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.00 49 K E E 80.97 7.92 23.40 31.80 120.45 -158.06 -109.49 133.17 2.43 97.56 0.01 2.15 0.10 0.01 0.00 0.00 0.00 97.70 0.05 50 F E E 24.34 18.54 12.85 31.83 112.87 -131.78 -83.65 130.62 15.85 84.05 0.10 13.84 1.53 0.20 0.02 0.06 0.00 83.81 0.53 51 L C S 81.56 7.40 16.15 24.81 97.02 -144.05 -70.87 -29.64 74.33 23.77 1.90 21.70 30.18 22.40 0.14 1.81 0.00 23.00 0.78 52 D C S 109.32 2.34 15.61 18.36 99.04 37.87 -88.23 -4.07 89.30 8.64 2.06 9.93 45.92 33.36 0.13 2.12 0.00 7.78 0.76 53 D C C 62.19 7.77 10.63 20.09 113.44 53.94 -120.54 104.36 86.05 11.90 2.05 50.31 23.24 12.76 0.23 2.35 0.00 9.43 1.67 54 Q C T 129.68 3.90 11.80 17.85 95.89 -169.74 -75.18 -13.98 88.99 8.57 2.45 19.78 32.04 37.45 0.22 2.43 0.00 6.95 1.12 55 N C S 122.87 1.64 14.94 16.66 95.78 60.01 -87.53 -6.05 85.18 13.21 1.61 13.71 39.05 32.43 0.11 1.65 0.00 12.24 0.80 56 R C C 96.22 9.09 13.17 23.50 121.69 67.73 -114.46 134.64 62.98 36.20 0.81 49.29 9.81 2.43 0.11 0.75 0.00 36.78 0.83 57 L E E 64.72 13.24 14.58 28.22 128.17 -173.01 -126.14 142.42 15.68 84.24 0.07 14.20 1.04 0.11 0.02 0.04 0.00 84.11 0.48 58 I E E 43.11 13.34 17.79 32.25 121.14 -154.43 -112.72 131.37 2.33 97.64 0.03 2.12 0.15 0.02 0.01 0.01 0.00 97.60 0.09 59 M E E 81.95 12.16 18.70 31.21 122.39 -162.70 -114.64 132.54 1.57 98.41 0.01 1.47 0.07 0.01 0.00 0.00 0.00 98.41 0.04 60 R E E 71.11 13.37 18.01 31.80 130.31 -176.23 -131.99 146.09 4.02 95.96 0.02 3.66 0.21 0.02 0.00 0.01 0.00 96.01 0.08 61 N E E 81.25 7.23 21.57 29.31 113.70 -125.29 -86.02 127.92 9.13 90.83 0.05 7.84 0.94 0.08 0.01 0.02 0.00 90.82 0.29 62 V E E 20.73 21.06 11.51 31.93 117.71 -159.72 -106.51 129.57 24.73 75.16 0.11 23.51 1.08 0.13 0.05 0.06 0.00 71.83 3.34 63 K C C 141.09 2.99 20.03 23.24 103.46 -160.51 -93.63 8.27 69.64 30.24 0.13 38.31 31.33 1.20 0.02 0.13 0.00 27.51 1.50 64 G C S 29.97 4.56 21.24 26.06 139.46 -7.58 145.95 -178.90 87.19 12.78 0.03 5.04 80.57 1.17 0.00 0.02 0.00 12.90 0.29 65 P C C 74.67 7.21 19.58 27.51 114.72 -39.73 -67.32 143.94 87.16 12.81 0.03 77.12 8.86 0.38 0.00 0.04 0.00 12.93 0.67 66 V C C 16.62 22.98 11.22 33.56 122.31 -151.01 -109.21 139.96 59.86 40.10 0.04 62.34 0.78 0.04 0.02 0.02 0.00 16.56 20.24 67 R C C 126.31 3.91 23.34 27.48 127.40 -158.10 -114.56 156.09 79.14 20.81 0.05 80.51 0.98 0.08 0.02 0.02 0.00 10.30 8.08 68 E C T 116.80 8.49 14.80 24.57 109.17 -82.44 -59.00 133.10 97.79 1.95 0.26 0.35 2.45 95.61 0.02 0.16 0.00 1.25 0.16 69 G C T 46.73 3.65 19.04 23.46 96.12 24.85 89.22 -5.98 99.13 0.68 0.19 0.58 3.05 95.57 0.01 0.13 0.00 0.62 0.03 70 D C C 43.80 13.23 15.52 29.52 118.28 130.42 -74.67 148.09 91.23 8.56 0.21 88.24 3.09 0.18 0.06 0.13 0.00 7.73 0.57 71 I E E 67.37 11.23 21.88 33.47 118.96 -136.26 -105.51 131.23 12.19 87.12 0.69 11.84 0.54 0.18 0.52 0.19 0.00 79.44 7.29 72 L E E 10.56 23.18 17.62 40.73 122.28 -164.62 -112.09 135.76 10.25 87.83 1.92 9.31 0.69 0.33 1.53 0.40 0.00 87.00 0.75 73 T E E 43.85 11.48 25.00 36.57 123.74 -162.84 -115.42 138.55 17.33 79.58 3.08 15.95 0.93 0.39 2.42 0.54 0.00 78.97 0.81 74 L E E 19.83 21.45 16.54 37.63 109.57 -135.37 -83.95 120.97 38.76 48.41 12.84 33.22 2.59 1.32 10.72 1.90 0.00 48.76 1.48 75 L H H 68.81 9.14 20.23 29.77 101.03 -143.73 -71.41 -40.57 41.74 12.22 46.04 32.41 4.58 4.39 39.61 5.79 0.02 12.25 0.96 76 E H H 100.25 5.47 20.13 25.78 95.11 43.61 -67.89 -35.18 31.44 5.73 62.83 21.25 5.11 6.17 54.49 7.15 0.03 5.11 0.69 77 S H H 29.20 12.25 15.97 29.07 94.80 54.29 -70.14 -35.64 25.47 2.55 71.98 18.06 4.03 5.19 62.46 7.78 0.02 2.03 0.43 78 E H H 71.02 11.22 15.89 27.60 93.28 58.40 -65.68 -39.15 16.31 1.11 82.58 11.42 2.70 3.93 75.78 5.11 0.01 0.82 0.22 79 R H H 124.51 3.16 18.33 21.59 92.61 51.85 -65.44 -40.75 12.42 0.73 86.85 7.34 2.21 4.12 80.43 5.17 0.03 0.52 0.17 80 E H H 88.12 4.06 17.07 21.92 92.32 50.29 -65.58 -39.63 13.06 0.66 86.28 6.49 2.15 5.19 79.93 5.55 0.04 0.49 0.16 81 A H H 26.99 10.61 12.03 24.38 92.32 52.56 -66.46 -38.26 16.60 0.51 82.89 7.74 2.65 6.68 75.03 7.38 0.02 0.34 0.16 82 R H H 131.32 4.13 13.78 19.29 92.06 55.78 -65.00 -37.31 24.79 0.67 74.53 9.26 3.40 11.89 63.11 11.63 0.04 0.42 0.25 83 R H H 162.57 1.57 13.17 14.99 92.49 54.64 -67.98 -29.61 38.70 0.94 60.36 11.54 4.33 22.41 50.36 10.37 0.05 0.54 0.40 84 L C H 101.31 4.56 9.72 15.79 95.83 56.31 -80.08 -12.08 55.02 0.99 44.00 30.15 2.22 22.71 37.77 6.09 0.00 0.49 0.56 85 R C C 160.83 3.75 12.50 18.02 102.42 65.55 -66.81 60.40 99.78 0.07 0.15 99.45 0.14 0.23 0.11 0.01 0.00 0.03 0.01