# 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 122.12 4.56 11.31 17.56 112.23 -153.19 -90.28 127.49 99.92 0.07 0.01 99.87 0.06 0.03 0.00 0.00 0.00 0.03 0.01 1 S C C 76.72 3.90 9.51 15.21 114.41 -151.00 -95.18 139.10 90.02 4.36 5.61 84.55 1.42 5.21 1.89 2.55 0.00 3.12 1.27 2 E C C 131.23 3.75 9.41 15.07 113.36 -147.37 -93.29 126.62 82.21 9.10 8.69 56.16 15.66 10.64 2.25 6.46 0.01 6.98 1.86 3 K C C 137.52 3.86 10.98 16.65 114.64 -151.22 -95.83 131.29 79.02 11.51 9.48 52.42 18.06 9.07 2.26 7.03 0.01 9.55 1.62 4 T C C 80.00 6.53 11.79 19.81 116.26 -144.98 -98.29 130.96 76.19 17.17 6.65 59.77 10.98 5.27 1.97 4.42 0.00 15.69 1.90 5 V C C 78.91 9.40 12.45 22.83 118.06 -168.69 -104.71 134.34 74.86 23.03 2.11 59.57 11.53 2.75 0.64 1.40 0.00 22.68 1.43 6 R C C 102.53 9.67 16.27 26.66 121.92 -148.78 -112.58 139.78 56.14 42.36 1.51 46.22 6.95 2.01 0.39 1.03 0.00 42.45 0.95 7 T E E 68.89 9.58 18.10 28.44 120.49 -147.87 -108.13 133.87 37.90 61.50 0.60 32.80 3.91 0.79 0.16 0.39 0.00 61.04 0.91 8 L E E 25.19 18.53 15.61 34.23 125.93 -170.38 -121.46 140.08 20.24 79.60 0.16 18.20 1.54 0.24 0.05 0.10 0.00 79.19 0.68 9 T E E 66.86 7.94 23.43 31.94 123.65 -158.25 -115.13 136.99 12.95 86.97 0.08 11.47 0.97 0.14 0.02 0.04 0.00 87.01 0.35 10 G E E 9.31 18.46 17.15 35.53 143.38 145.32 -162.52 174.38 5.51 94.46 0.03 4.23 0.90 0.09 0.00 0.01 0.00 94.69 0.07 11 K E E 98.82 6.01 24.76 31.59 124.52 -97.55 -117.63 141.58 1.96 98.03 0.01 1.65 0.13 0.01 0.00 0.01 0.00 98.15 0.05 12 V E E 26.61 21.07 13.32 34.34 109.84 -115.62 -75.17 125.82 1.98 98.00 0.02 1.79 0.08 0.01 0.01 0.01 0.00 98.03 0.08 13 V E E 70.95 6.39 20.56 27.85 102.34 176.09 -99.32 -27.64 5.57 94.34 0.09 4.16 1.15 0.16 0.02 0.05 0.00 94.32 0.15 14 S E E 53.04 5.96 19.94 26.88 136.71 0.62 -150.21 151.93 15.36 84.43 0.20 10.21 4.53 0.69 0.04 0.13 0.00 84.07 0.32 15 D C E 66.04 13.18 12.03 25.24 116.81 -166.16 -125.63 117.06 50.45 49.09 0.46 41.14 6.38 1.28 0.08 0.37 0.00 50.22 0.53 16 K C S 138.23 3.48 15.41 19.89 101.69 171.14 -93.35 -2.38 66.89 31.72 1.39 25.08 30.67 11.42 0.16 1.30 0.00 30.27 1.08 17 M C S 94.14 6.08 12.04 19.59 119.07 84.85 -102.70 148.07 67.73 29.93 2.34 23.92 28.66 17.05 0.36 2.09 0.02 23.55 4.35 18 D C T 120.19 1.89 15.53 17.71 97.92 -85.27 -65.27 -18.96 98.40 0.57 1.03 4.36 35.97 58.18 0.08 0.91 0.00 0.36 0.14 19 K C T 112.87 8.18 14.95 23.72 99.97 18.12 -102.17 10.56 98.43 0.93 0.64 3.04 37.49 58.05 0.03 0.57 0.00 0.71 0.11 20 S E E 22.68 12.01 17.12 30.63 135.74 67.43 -135.18 153.93 21.48 78.43 0.09 15.55 5.31 0.59 0.02 0.08 0.00 77.74 0.72 21 I E E 12.72 19.20 17.19 37.30 124.46 -152.96 -118.60 138.06 3.64 96.35 0.00 3.28 0.10 0.00 0.00 0.00 0.00 96.57 0.05 22 V E E 29.62 10.84 24.23 36.55 118.62 -151.97 -109.91 129.04 0.38 99.62 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 23 V E E 5.98 22.84 17.63 41.13 121.00 -165.63 -114.53 130.05 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 24 L E E 40.26 9.62 24.11 35.00 116.49 -152.26 -102.89 128.10 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 25 I E E 13.09 20.23 15.99 36.71 123.39 -170.87 -119.92 135.33 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 26 E E E 81.97 7.99 21.06 29.68 118.18 -147.68 -103.39 130.98 1.12 98.88 0.00 0.97 0.04 0.00 0.00 0.00 0.00 98.98 0.01 27 R E E 63.81 13.48 14.89 29.09 130.57 173.92 -131.52 149.32 2.23 97.77 0.01 1.95 0.08 0.01 0.00 0.00 0.00 97.94 0.02 28 R E E 123.74 6.58 17.09 24.91 116.67 -130.58 -99.58 130.27 2.19 97.80 0.00 1.94 0.08 0.01 0.00 0.00 0.00 97.94 0.03 29 V E E 39.63 11.77 13.67 26.98 127.75 -172.50 -127.45 147.03 1.69 98.31 0.00 1.43 0.09 0.01 0.00 0.00 0.00 98.43 0.03 30 Q E E 106.55 4.20 15.07 20.63 114.66 -123.13 -89.86 129.78 3.05 96.94 0.01 2.78 0.17 0.01 0.00 0.00 0.00 96.63 0.39 31 H C C 44.11 11.83 7.99 21.11 110.19 -139.37 -90.98 118.19 60.44 39.51 0.05 59.19 0.70 0.10 0.01 0.03 0.00 39.33 0.65 32 P C T 106.84 1.62 12.00 14.38 93.06 -149.97 -64.23 -27.90 97.83 0.26 1.92 0.53 3.06 94.28 0.07 1.83 0.00 0.17 0.06 33 L C T 128.87 1.37 11.18 13.05 97.11 48.00 -75.80 -38.23 98.16 0.18 1.66 0.24 2.47 95.60 0.04 1.48 0.00 0.10 0.06 34 Y C T 136.36 2.92 10.31 14.58 101.68 24.37 -105.58 -10.40 98.54 0.17 1.29 0.48 2.56 95.62 0.05 1.15 0.00 0.10 0.04 35 G C C 54.47 2.27 11.24 14.91 96.07 -125.04 75.03 10.12 98.65 1.02 0.33 50.61 6.39 41.61 0.07 0.23 0.00 0.95 0.13 36 K C C 111.55 3.14 12.14 17.04 125.94 119.72 -111.50 151.89 64.85 35.12 0.04 59.57 3.06 0.23 0.00 0.03 0.00 36.69 0.41 37 S E E 65.01 7.35 11.38 20.39 119.19 -124.78 -96.86 140.54 1.74 98.26 0.00 1.58 0.07 0.00 0.00 0.00 0.00 98.27 0.08 38 I E E 60.73 9.16 13.14 24.25 125.25 -168.16 -124.05 140.51 0.34 99.66 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 39 R E E 140.11 6.45 14.42 22.91 119.12 -146.18 -103.65 134.27 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 40 R E E 90.14 9.48 14.31 25.29 129.14 -177.94 -131.98 146.26 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 41 S E E 58.89 8.83 15.63 25.83 124.60 -153.92 -117.66 144.11 1.27 98.73 0.00 1.13 0.03 0.00 0.00 0.00 0.00 98.83 0.01 42 T E E 36.52 13.24 15.52 29.72 130.93 -175.56 -132.61 149.13 2.14 97.86 0.00 2.07 0.07 0.00 0.00 0.00 0.00 97.81 0.04 43 K E E 108.68 7.82 20.34 29.18 119.01 -135.17 -104.07 132.53 4.78 95.21 0.00 4.41 0.32 0.02 0.00 0.00 0.00 95.19 0.07 44 L E E 13.48 21.61 16.18 37.85 125.41 -170.26 -120.08 139.21 6.10 93.89 0.00 5.89 0.20 0.01 0.00 0.00 0.00 93.78 0.11 45 H E E 70.64 10.25 25.53 36.13 121.18 -153.98 -105.05 137.90 5.71 94.28 0.00 5.60 0.17 0.01 0.00 0.00 0.00 93.85 0.36 46 A E E 4.06 24.65 17.53 42.49 127.94 -171.51 -127.79 141.82 15.44 84.53 0.02 14.96 0.47 0.03 0.01 0.01 0.00 83.63 0.88 47 H E E 65.24 9.86 24.78 35.10 119.32 -158.77 -112.11 128.07 23.29 76.63 0.08 21.13 1.75 0.16 0.03 0.06 0.00 72.31 4.56 48 D C C 17.97 19.84 13.54 33.13 111.68 -163.31 -117.53 105.87 85.58 14.20 0.22 82.81 2.31 0.47 0.05 0.15 0.00 12.86 1.35 49 E C T 128.51 3.82 17.54 22.78 94.22 -169.57 -69.62 -27.40 96.42 1.49 2.09 17.94 20.09 57.87 0.14 2.52 0.00 1.04 0.40 50 N C T 110.10 2.08 18.44 19.95 96.56 40.28 -95.82 2.80 97.12 0.73 2.14 3.63 31.09 62.26 0.09 2.24 0.00 0.45 0.23 51 N C S 75.57 12.79 13.58 26.74 93.77 -120.50 63.01 33.03 95.56 2.99 1.45 29.52 58.87 6.99 0.13 1.63 0.00 1.88 0.98 52 V C C 80.05 5.58 22.50 28.52 103.08 127.95 -96.42 15.89 90.23 9.45 0.32 84.38 4.50 1.04 0.11 0.22 0.00 3.89 5.86 53 A C C 5.45 25.35 10.95 35.88 124.12 127.09 -108.98 143.85 91.90 7.95 0.14 91.17 1.87 0.29 0.05 0.09 0.00 3.64 2.88 54 K C C 111.56 3.21 25.36 28.84 131.69 -167.91 -127.15 156.83 95.48 4.44 0.07 94.22 1.79 0.24 0.03 0.04 0.00 1.66 2.03 55 I C T 91.97 11.71 16.13 28.19 110.34 -80.47 -59.30 134.71 99.56 0.33 0.11 0.13 1.43 98.18 0.00 0.05 0.00 0.13 0.07 56 G C T 38.00 5.15 20.51 26.79 96.78 26.35 90.03 -7.66 99.91 0.06 0.04 0.22 1.45 98.26 0.00 0.02 0.00 0.03 0.00 57 D C C 28.00 15.15 16.95 33.21 118.18 132.24 -71.24 145.71 97.12 2.88 0.00 96.31 1.01 0.01 0.00 0.00 0.00 2.60 0.06 58 V E E 51.41 10.15 24.55 35.47 117.26 -131.82 -98.99 131.97 0.58 99.42 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.30 0.09 59 V E E 3.49 25.85 16.56 43.17 130.07 -174.45 -127.11 150.76 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 60 T E E 34.43 9.50 26.86 37.72 119.53 -136.09 -105.15 134.39 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 61 I E E 7.85 25.07 16.45 41.91 120.81 -159.33 -111.70 130.22 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 62 K E E 81.33 7.71 24.83 32.95 132.90 -175.85 -132.99 151.16 0.55 99.45 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.50 0.01 63 E E E 90.27 12.09 18.47 30.36 114.56 -109.70 -75.67 138.65 2.72 97.26 0.01 2.37 0.17 0.02 0.00 0.00 0.00 97.35 0.08 64 S E E 24.56 15.14 13.32 28.82 132.78 -175.53 -131.62 160.41 36.69 63.24 0.07 33.05 2.30 0.16 0.01 0.05 0.00 63.93 0.49 65 R C E 162.57 2.12 18.57 20.69 115.71 -103.65 -96.02 136.16 58.58 41.25 0.17 40.42 16.95 0.98 0.03 0.17 0.00 40.72 0.73 66 P C C 63.48 11.97 9.64 21.97 112.61 -108.46 -67.48 139.98 68.74 30.63 0.63 55.49 10.73 2.33 0.15 0.52 0.00 28.94 1.83 67 I C S 117.54 2.98 12.79 17.16 98.52 -165.53 -85.20 -30.76 80.55 18.59 0.86 25.89 47.25 8.39 0.16 0.76 0.00 14.48 3.06 68 S C S 55.28 2.86 13.89 17.56 135.24 3.10 -146.54 166.52 85.30 13.71 1.00 22.36 52.01 11.57 0.16 0.91 0.00 9.77 3.22 69 K C S 170.55 1.39 11.99 14.39 92.24 -97.16 -64.76 -23.21 98.50 0.61 0.88 3.69 62.81 32.25 0.08 0.65 0.00 0.36 0.16 70 T C S 95.58 2.82 14.37 17.89 100.39 44.27 -98.14 -12.43 96.29 3.04 0.67 5.15 60.78 30.66 0.06 0.56 0.00 2.44 0.36 71 K E E 72.33 11.08 14.33 26.34 121.88 47.50 -121.79 130.49 49.06 50.65 0.29 39.36 7.80 1.52 0.07 0.28 0.00 48.48 2.49 72 A E E 19.20 13.41 18.26 33.12 130.40 162.48 -126.50 150.54 22.64 77.31 0.05 19.13 2.54 0.24 0.01 0.03 0.00 77.49 0.56 73 W E E 22.74 20.49 18.22 38.85 126.23 -149.49 -119.25 142.34 6.91 93.08 0.01 5.92 0.44 0.03 0.00 0.00 0.00 93.52 0.08 74 T E E 34.09 10.93 25.29 37.06 124.83 -158.20 -120.55 136.94 0.72 99.28 0.00 0.63 0.03 0.00 0.00 0.00 0.00 99.32 0.02 75 L E E 16.69 21.84 15.63 37.93 109.83 -117.01 -75.85 124.48 0.35 99.65 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 76 V E E 62.39 7.92 21.37 30.19 101.17 176.04 -97.18 -32.35 1.09 98.90 0.01 0.79 0.14 0.01 0.00 0.00 0.00 99.04 0.01 77 E E E 95.10 3.78 24.19 28.21 136.56 -2.28 -150.69 148.28 0.77 99.22 0.01 0.59 0.08 0.01 0.00 0.00 0.00 99.31 0.01 78 V E E 47.96 18.64 12.51 30.38 111.50 -128.80 -88.74 120.61 1.09 98.90 0.02 1.03 0.03 0.01 0.00 0.00 0.00 98.90 0.02 79 V E E 71.33 6.37 18.24 25.80 101.60 177.06 -95.41 -33.54 6.63 93.23 0.14 5.12 1.27 0.16 0.04 0.06 0.00 93.20 0.14 80 E E E 103.41 4.30 19.83 25.04 134.40 -1.43 -147.95 148.41 12.44 87.11 0.45 9.95 2.19 0.55 0.15 0.24 0.00 86.46 0.45 81 A E E 52.89 13.52 12.19 25.53 119.20 -145.29 -102.90 140.35 44.36 53.97 1.67 34.78 6.83 2.87 0.40 1.18 0.00 52.95 0.98 82 A C C 49.42 9.44 11.55 22.14 112.89 -120.38 -76.03 146.47 79.77 17.85 2.38 53.56 17.99 7.65 0.43 2.06 0.00 17.16 1.15 83 A C C 81.66 3.20 11.21 16.22 114.56 -118.98 -92.56 137.29 88.71 9.76 1.53 79.40 3.95 4.95 0.28 1.13 0.00 9.14 1.15 84 E C C 142.78 2.93 12.66 17.25 111.94 -131.42 -90.41 126.09 99.84 0.15 0.01 99.81 0.06 0.02 0.00 0.00 0.00 0.09 0.01