# 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 M C C 110.42 6.24 11.64 19.18 116.23 -161.02 -97.76 138.12 99.86 0.12 0.01 99.82 0.08 0.03 0.00 0.00 0.00 0.05 0.01 1 S C C 71.94 4.20 9.91 15.80 113.78 -140.53 -90.69 141.43 88.83 4.21 6.96 82.48 1.65 5.24 4.60 1.68 0.00 2.40 1.95 2 D C C 107.80 2.97 9.76 14.34 105.42 -132.15 -84.21 44.85 78.50 3.23 18.26 48.64 16.13 13.62 13.03 5.48 0.01 1.78 1.31 3 N C C 106.37 3.92 10.03 15.49 103.86 72.55 -82.61 8.99 70.40 2.27 27.34 42.20 14.78 13.34 20.03 7.50 0.01 1.21 0.92 4 N C C 98.52 4.79 10.61 16.85 103.87 72.09 -84.12 7.20 64.80 2.77 32.43 42.45 11.16 10.99 25.15 7.62 0.02 1.54 1.07 5 Q C C 111.47 4.24 11.85 17.49 104.45 73.67 -82.63 17.38 58.95 3.09 37.97 39.07 11.50 8.83 31.52 6.28 0.02 1.70 1.08 6 A C C 59.89 6.64 11.66 19.66 104.27 73.89 -77.91 4.94 58.63 3.02 38.35 39.30 10.89 8.68 32.55 5.86 0.02 1.73 0.97 7 T C C 78.12 7.03 12.28 20.34 103.89 60.62 -81.43 3.30 61.62 3.36 35.03 40.99 10.94 9.65 29.12 6.20 0.02 1.99 1.08 8 T C C 90.11 4.49 13.80 19.49 102.18 60.55 -81.05 -9.79 65.67 3.40 30.94 36.13 14.34 15.44 24.53 6.41 0.05 1.95 1.14 9 N C C 102.15 4.78 15.08 20.97 101.89 54.44 -88.25 7.31 74.66 4.18 21.16 38.90 17.67 18.44 14.67 6.42 0.04 2.57 1.29 10 A C C 45.16 13.33 12.69 26.06 115.63 115.28 -84.92 140.86 81.61 9.84 8.56 52.10 20.87 9.02 4.33 3.92 0.01 8.40 1.34 11 S C C 41.96 11.49 17.38 29.38 117.79 -137.11 -96.02 138.79 61.53 34.44 4.03 45.94 10.26 4.83 1.36 2.38 0.00 33.80 1.42 12 V E E 67.55 11.28 19.70 31.18 120.05 -147.09 -108.90 130.76 31.20 68.02 0.77 26.56 3.74 0.80 0.31 0.45 0.00 66.13 2.01 13 L E E 21.62 20.40 16.45 36.62 122.64 -166.47 -114.46 135.30 18.22 81.66 0.12 16.46 1.23 0.16 0.04 0.07 0.00 81.11 0.93 14 T E E 66.04 8.37 23.99 32.91 125.09 -164.91 -116.55 139.74 14.04 85.90 0.06 12.36 1.02 0.14 0.02 0.04 0.00 86.06 0.38 15 G E E 10.85 17.60 18.04 35.64 143.69 142.09 -167.89 166.94 6.81 93.16 0.03 5.03 1.37 0.16 0.00 0.02 0.00 93.33 0.08 16 R E E 116.49 5.72 24.61 31.17 122.68 -87.98 -111.73 140.04 2.17 97.82 0.02 1.85 0.13 0.02 0.01 0.00 0.00 97.94 0.06 17 V E E 27.27 21.19 13.16 34.28 110.48 -117.84 -78.30 125.42 1.97 98.01 0.02 1.79 0.08 0.01 0.01 0.01 0.00 98.01 0.10 18 V E E 71.23 6.24 20.76 27.84 102.34 175.75 -99.65 -28.09 5.43 94.50 0.07 4.13 1.07 0.15 0.02 0.04 0.00 94.42 0.17 19 S E E 53.61 5.90 19.97 26.82 137.12 -1.60 -149.78 150.59 17.64 82.19 0.17 11.43 5.57 0.72 0.03 0.12 0.00 81.81 0.32 20 D C E 64.05 13.33 11.79 25.18 116.17 -166.32 -125.54 115.43 52.97 46.66 0.37 44.88 5.35 1.03 0.07 0.31 0.00 47.78 0.59 21 K C S 138.39 3.45 15.26 19.72 100.95 170.86 -91.34 -3.28 70.50 27.89 1.61 23.70 35.21 11.85 0.18 1.50 0.00 26.40 1.15 22 M C S 96.91 5.53 12.30 19.25 118.54 74.33 -100.38 147.45 68.48 28.72 2.80 17.51 32.24 20.44 0.37 2.49 0.03 22.39 4.53 23 D C T 119.14 1.98 15.34 17.75 97.81 -94.61 -64.82 -18.10 98.14 0.58 1.28 3.49 33.08 61.63 0.09 1.19 0.00 0.37 0.15 24 K C T 110.31 8.43 14.90 23.89 99.80 19.76 -101.56 8.46 98.42 0.87 0.71 2.68 33.66 62.17 0.03 0.68 0.00 0.66 0.11 25 S E E 23.43 11.99 17.23 30.72 134.49 68.80 -133.78 152.75 19.45 80.48 0.08 14.24 4.91 0.47 0.01 0.06 0.00 79.19 1.10 26 I E E 11.69 19.39 17.28 37.59 124.63 -156.15 -120.03 138.14 4.94 95.05 0.00 4.48 0.14 0.00 0.00 0.00 0.00 95.32 0.05 27 T E E 29.59 10.51 24.55 36.38 117.88 -147.23 -106.43 129.90 0.76 99.24 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.31 0.00 28 V E E 5.39 23.22 17.34 41.20 123.55 -169.83 -119.61 134.11 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 29 L E E 40.57 9.63 24.17 35.07 115.74 -142.96 -98.60 126.39 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 30 I E E 13.02 20.39 16.26 37.11 122.57 -168.32 -117.55 133.64 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 31 E E E 79.08 8.54 20.61 29.85 117.47 -147.83 -101.49 130.71 1.32 98.68 0.00 1.14 0.05 0.00 0.00 0.00 0.00 98.79 0.01 32 R E E 67.47 12.76 15.49 29.07 129.73 176.48 -130.66 147.45 1.67 98.33 0.00 1.46 0.06 0.00 0.00 0.00 0.00 98.46 0.02 33 L E E 83.08 7.75 16.44 25.38 115.91 -126.66 -94.73 130.39 1.72 98.28 0.00 1.50 0.06 0.00 0.00 0.00 0.00 98.41 0.02 34 V E E 43.18 10.62 13.95 26.31 127.02 -172.85 -126.07 144.86 1.36 98.64 0.00 1.15 0.06 0.00 0.00 0.00 0.00 98.76 0.02 35 R E E 141.56 3.82 14.74 19.97 114.02 -120.53 -85.71 130.65 2.85 97.15 0.01 2.63 0.14 0.01 0.00 0.00 0.00 96.84 0.37 36 H C C 44.78 11.71 7.59 20.48 110.11 -138.22 -88.49 119.25 65.40 34.55 0.05 64.46 0.63 0.09 0.01 0.02 0.00 34.16 0.62 37 P C T 110.09 1.37 11.70 13.62 92.95 -146.27 -64.35 -27.30 98.21 0.22 1.57 0.42 3.01 94.82 0.06 1.48 0.00 0.15 0.05 38 L C T 130.69 1.22 10.89 12.53 97.55 48.37 -76.09 -37.90 98.55 0.13 1.32 0.18 2.41 96.12 0.03 1.15 0.00 0.07 0.04 39 Y C T 136.90 2.82 10.07 14.21 101.49 24.51 -106.22 -10.21 98.80 0.15 1.05 0.40 2.54 95.96 0.04 0.95 0.00 0.08 0.03 40 G C C 54.27 2.22 11.14 14.69 95.98 -125.27 75.80 9.31 98.89 0.82 0.29 58.21 6.14 34.52 0.06 0.20 0.00 0.74 0.13 41 K C C 110.89 3.11 11.80 16.69 125.02 120.65 -106.78 152.46 72.61 27.36 0.03 68.49 2.57 0.19 0.00 0.03 0.00 28.33 0.39 42 Q E E 105.20 6.91 11.39 20.03 118.55 -120.21 -90.99 137.45 1.31 98.69 0.00 1.22 0.04 0.00 0.00 0.00 0.00 98.62 0.12 43 L E E 58.80 9.18 12.87 23.95 126.43 -171.33 -124.80 144.22 0.39 99.61 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 44 R E E 139.49 6.63 14.20 22.84 120.01 -139.59 -104.09 134.77 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 45 R E E 89.65 9.43 14.36 25.27 129.04 -177.10 -129.77 146.83 0.79 99.21 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.27 0.00 46 S E E 59.70 8.89 15.41 25.66 124.74 -153.28 -116.94 143.71 1.47 98.53 0.00 1.28 0.05 0.00 0.00 0.00 0.00 98.65 0.01 47 T E E 35.20 13.22 15.40 29.67 133.00 -176.14 -136.07 151.10 2.13 97.87 0.00 1.93 0.12 0.00 0.00 0.00 0.00 97.90 0.05 48 K E E 111.36 7.00 21.07 28.92 117.03 -127.61 -95.68 130.87 5.96 94.04 0.00 5.56 0.32 0.01 0.00 0.00 0.00 94.04 0.07 49 I E E 12.63 22.37 15.74 38.11 125.11 -170.04 -119.32 139.04 9.59 90.40 0.00 9.25 0.29 0.01 0.00 0.00 0.00 90.32 0.13 50 K E E 71.58 10.46 25.92 36.70 120.57 -149.35 -103.56 137.29 6.02 93.97 0.00 6.04 0.15 0.01 0.00 0.00 0.00 93.38 0.42 51 A E E 3.58 25.20 17.87 43.49 126.79 -166.00 -120.34 141.07 11.17 88.81 0.02 11.06 0.31 0.02 0.01 0.01 0.00 87.43 1.16 52 H E E 56.19 11.03 24.96 36.40 126.49 -171.28 -126.07 139.15 21.51 78.44 0.05 19.63 1.55 0.11 0.02 0.04 0.00 74.26 4.38 53 D C C 18.85 19.77 13.97 33.48 113.16 -166.98 -119.20 109.99 83.72 16.13 0.15 81.33 2.06 0.33 0.03 0.10 0.00 15.05 1.10 54 E C T 127.86 4.01 17.74 23.16 94.39 -164.24 -70.40 -27.19 95.60 1.72 2.67 20.77 20.72 53.45 0.16 3.27 0.00 1.20 0.43 55 N C T 110.06 2.06 18.56 19.98 97.15 39.28 -95.75 2.86 96.70 0.74 2.56 4.16 32.45 59.77 0.09 2.83 0.00 0.46 0.23 56 N C S 71.41 13.59 13.40 27.11 94.18 -119.94 63.01 31.48 94.93 3.13 1.94 29.43 57.89 7.37 0.15 2.17 0.00 2.05 0.94 57 V C C 81.81 5.27 22.88 28.53 109.42 129.07 -99.45 81.96 90.42 9.29 0.29 85.29 4.02 0.91 0.11 0.18 0.00 3.54 5.95 58 C C C 7.76 25.02 10.63 35.12 125.94 146.73 -115.65 143.76 94.06 5.82 0.11 93.29 1.62 0.26 0.04 0.07 0.00 2.56 2.17 59 Q C C 99.53 3.20 25.02 28.36 131.60 -163.51 -129.75 158.62 96.59 3.33 0.07 95.02 1.91 0.24 0.03 0.03 0.00 1.08 1.69 60 Q C T 102.74 10.22 16.40 27.40 110.45 -79.11 -59.13 134.59 99.63 0.26 0.12 0.11 1.46 98.22 0.00 0.06 0.00 0.11 0.05 61 G C T 37.82 5.22 20.21 26.59 97.06 26.13 89.96 -7.64 99.91 0.05 0.04 0.20 1.48 98.26 0.00 0.02 0.00 0.03 0.00 62 D C C 27.20 15.30 16.77 33.22 117.17 134.33 -71.19 145.21 96.49 3.50 0.00 95.92 0.87 0.01 0.00 0.00 0.00 3.13 0.07 63 L E E 57.22 10.03 24.58 35.32 116.54 -129.57 -95.03 132.26 0.50 99.50 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.38 0.09 64 V E E 3.70 25.84 16.07 42.62 131.23 -175.39 -127.85 151.58 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 65 R E E 81.40 8.49 26.98 36.49 119.88 -135.51 -105.14 133.61 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 66 I E E 9.21 24.73 15.62 40.74 118.78 -153.20 -105.57 129.65 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 67 K E E 81.37 7.40 24.27 32.11 131.45 -175.24 -130.24 151.74 0.74 99.26 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.32 0.01 68 E E E 94.89 11.27 18.24 29.58 114.67 -107.97 -76.14 138.02 3.79 96.19 0.01 3.44 0.19 0.02 0.00 0.00 0.00 96.25 0.11 69 T E E 30.53 14.99 12.69 28.12 129.25 -170.70 -125.42 155.73 43.75 56.18 0.07 40.82 1.70 0.14 0.02 0.05 0.00 56.69 0.58 70 R C C 162.39 2.06 18.22 20.25 114.23 -102.80 -86.76 136.29 69.63 30.07 0.30 51.01 16.51 1.23 0.06 0.26 0.00 30.05 0.87 71 P C C 63.75 11.82 9.65 21.88 111.91 -107.43 -67.50 138.64 76.83 22.09 1.08 61.76 11.58 3.07 0.26 0.85 0.00 20.59 1.88 72 I C S 116.26 3.12 12.68 17.23 98.86 -166.87 -86.28 -28.67 76.70 22.02 1.28 29.04 40.85 8.10 0.30 1.06 0.02 15.65 4.98 73 S C S 54.95 2.87 13.67 17.46 135.70 4.42 -148.13 167.56 80.27 18.29 1.45 22.91 45.96 12.50 0.27 1.26 0.01 12.61 4.48 74 K C S 170.59 1.37 12.03 14.33 92.28 -97.97 -65.08 -22.99 98.26 0.70 1.04 3.84 54.62 40.04 0.10 0.78 0.00 0.42 0.19 75 T C S 93.93 3.11 14.23 18.09 101.44 45.07 -99.43 -7.64 95.58 3.64 0.78 5.75 52.57 37.57 0.06 0.67 0.00 2.96 0.42 76 K E E 68.20 11.75 13.99 26.60 121.86 55.92 -116.99 128.54 47.41 52.31 0.28 39.04 6.38 1.25 0.07 0.25 0.00 50.02 2.99 77 A E E 20.52 12.98 18.21 32.72 130.54 130.52 -129.44 150.91 23.11 76.85 0.04 20.60 1.59 0.16 0.01 0.03 0.00 77.02 0.60 78 W E E 23.43 20.37 17.85 38.39 125.60 -146.12 -118.45 141.37 8.61 91.38 0.01 7.58 0.54 0.04 0.00 0.00 0.00 91.73 0.10 79 T E E 38.61 10.35 25.13 36.25 122.84 -154.75 -115.88 136.41 1.09 98.90 0.00 1.02 0.04 0.00 0.00 0.00 0.00 98.91 0.03 80 L E E 18.43 21.73 15.30 37.47 110.05 -118.44 -76.24 125.02 0.58 99.42 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.38 0.02 81 V E E 62.26 8.03 21.16 30.09 101.86 176.22 -97.90 -32.37 1.72 98.22 0.06 1.29 0.24 0.04 0.01 0.02 0.00 98.38 0.01 82 D E E 74.88 3.82 24.09 28.09 136.19 -2.80 -151.26 148.09 1.30 98.65 0.05 1.01 0.14 0.02 0.01 0.02 0.00 98.79 0.01 83 V E E 48.16 18.60 12.35 30.19 110.70 -128.86 -89.11 120.72 1.51 98.43 0.06 1.50 0.04 0.01 0.02 0.02 0.00 98.36 0.04 84 V E E 70.84 6.24 18.24 25.74 101.52 176.60 -95.97 -32.42 7.02 92.68 0.30 5.43 1.17 0.18 0.09 0.13 0.00 92.90 0.11 85 E E E 91.71 5.42 19.53 25.99 137.51 -0.18 -150.80 149.31 10.50 89.06 0.44 8.35 1.74 0.40 0.13 0.23 0.00 88.86 0.29 86 K E E 104.39 12.09 14.02 26.45 121.37 -148.23 -111.90 133.07 36.10 62.77 1.13 31.91 2.88 0.93 0.33 0.68 0.00 62.56 0.72 87 V C C 52.07 12.37 11.27 24.29 115.75 -145.52 -91.93 138.76 72.49 24.26 3.25 54.44 12.03 4.92 0.62 2.60 0.00 24.26 1.12 88 E C C 131.13 3.26 13.62 18.37 114.84 -137.66 -98.91 135.26 78.61 18.01 3.38 45.84 24.62 8.05 0.47 3.05 0.00 16.77 1.18 89 K C C 139.58 4.09 11.33 17.46 114.34 -122.40 -92.54 127.16 83.11 14.91 1.98 76.30 3.02 3.30 0.38 1.37 0.00 13.93 1.69 90 I C C 97.63 7.88 10.98 20.06 108.97 -154.86 -91.70 113.65 99.77 0.23 0.01 99.77 0.05 0.02 0.00 0.00 0.00 0.14 0.01