# 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 118.36 4.92 11.45 17.89 113.14 -161.61 -91.06 131.83 99.92 0.06 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.03 0.01 1 S C C 72.99 3.99 10.16 15.83 114.32 -151.03 -94.89 141.17 92.33 3.54 4.13 89.16 1.20 3.05 1.75 1.39 0.00 2.16 1.28 2 E C C 129.28 3.55 10.12 15.36 111.15 -132.19 -89.71 125.57 85.14 5.85 9.01 67.24 10.56 7.23 3.05 5.95 0.00 3.87 2.10 3 R C C 140.74 5.56 9.86 16.96 108.05 -143.83 -87.39 96.85 76.51 4.68 18.81 49.46 12.23 14.58 3.90 15.35 0.01 3.00 1.47 4 N C C 105.16 4.58 11.73 17.75 104.24 60.28 -87.42 35.46 77.11 2.98 19.90 35.53 18.04 23.97 3.45 16.24 0.01 1.70 1.05 5 D C C 91.56 5.12 12.81 19.38 106.44 97.24 -90.02 68.94 78.88 3.71 17.41 41.23 18.90 18.84 3.05 14.55 0.01 2.37 1.05 6 R C C 113.15 10.02 12.18 23.01 116.82 150.33 -91.46 136.24 82.68 10.73 6.59 57.20 18.71 7.02 1.67 4.91 0.00 9.14 1.34 7 K C C 97.61 8.77 16.78 26.37 117.82 -143.96 -95.96 136.84 68.54 28.96 2.50 54.87 9.84 3.08 0.66 1.74 0.00 28.52 1.28 8 V E E 62.78 12.17 17.47 30.06 121.04 -147.66 -107.69 133.39 41.25 58.21 0.54 35.76 4.24 0.62 0.16 0.33 0.00 57.94 0.94 9 Y E E 34.53 17.81 17.07 35.06 125.72 -169.13 -119.77 141.82 17.13 82.78 0.08 15.56 1.11 0.14 0.02 0.05 0.00 82.48 0.64 10 V E E 61.95 10.00 23.87 34.22 121.89 -154.18 -113.10 133.72 9.83 90.15 0.03 8.78 0.55 0.05 0.01 0.01 0.00 90.38 0.22 11 G E E 7.04 20.23 17.69 37.67 141.51 154.26 -151.26 165.11 4.72 95.27 0.01 3.64 0.66 0.05 0.00 0.01 0.00 95.59 0.04 12 K E E 95.74 6.57 25.25 32.70 125.09 -102.34 -118.91 142.17 1.54 98.45 0.01 1.30 0.09 0.01 0.00 0.00 0.00 98.56 0.04 13 V E E 24.50 21.48 13.79 35.31 110.21 -115.61 -75.72 126.56 1.63 98.37 0.01 1.48 0.05 0.01 0.00 0.00 0.00 98.39 0.07 14 V E E 68.87 6.79 20.89 28.56 102.18 176.37 -99.92 -26.13 6.40 93.54 0.06 4.84 1.27 0.15 0.01 0.04 0.00 93.55 0.15 15 S E E 51.41 6.65 19.88 27.43 137.45 1.57 -150.55 153.09 21.78 78.03 0.19 14.16 6.87 0.88 0.03 0.14 0.00 77.57 0.34 16 D C C 66.43 13.23 12.48 25.64 116.54 -166.68 -125.87 119.97 58.20 41.24 0.56 45.87 8.84 1.84 0.10 0.47 0.00 42.29 0.60 17 K C S 137.33 3.78 15.50 20.21 102.16 164.35 -93.33 0.40 71.28 27.13 1.59 25.19 34.02 12.94 0.19 1.50 0.01 24.90 1.25 18 M C S 92.18 6.28 12.21 19.97 120.25 89.09 -108.37 147.85 69.38 27.85 2.76 23.91 29.14 18.12 0.45 2.45 0.02 20.60 5.29 19 D C T 117.35 2.22 15.84 18.56 97.39 -84.89 -63.65 -18.98 98.47 0.54 0.99 3.75 35.86 58.95 0.07 0.89 0.00 0.34 0.14 20 K C T 107.09 9.50 15.03 24.84 99.50 12.38 -104.64 9.47 98.47 0.92 0.60 2.61 37.12 58.88 0.03 0.56 0.00 0.70 0.11 21 T E E 32.90 11.30 18.01 30.84 131.15 72.37 -129.57 146.98 19.62 80.30 0.08 14.18 5.02 0.55 0.01 0.06 0.00 79.31 0.85 22 I E E 10.02 20.70 17.00 38.47 123.39 -157.03 -117.35 135.33 4.17 95.83 0.00 3.77 0.12 0.00 0.00 0.00 0.00 96.06 0.05 23 T E E 26.63 10.66 25.02 37.05 118.70 -152.37 -109.76 130.43 0.43 99.57 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 24 V E E 4.63 23.92 17.71 42.37 120.80 -165.81 -115.33 129.99 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 25 L E E 39.69 9.63 24.83 35.65 116.71 -153.21 -103.10 127.81 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 26 V E E 9.90 21.19 16.17 37.77 124.32 -170.78 -120.71 136.03 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 27 E E E 73.25 8.54 21.63 30.85 118.09 -144.99 -100.69 131.58 1.35 98.65 0.00 1.20 0.04 0.00 0.00 0.00 0.00 98.75 0.01 28 T E E 26.24 14.39 15.32 30.78 129.13 -173.71 -128.92 148.78 2.67 97.32 0.01 2.37 0.09 0.01 0.00 0.00 0.00 97.51 0.02 29 Y E E 106.28 8.41 16.44 26.14 119.52 -140.25 -108.26 132.83 2.10 97.89 0.00 1.80 0.11 0.01 0.00 0.00 0.00 98.04 0.03 30 K E E 86.64 7.87 15.30 24.68 127.87 -173.54 -127.59 146.06 1.78 98.22 0.01 1.48 0.12 0.01 0.00 0.00 0.00 98.36 0.03 31 T E E 80.33 4.98 13.31 20.03 114.99 -119.00 -87.47 130.90 2.95 97.03 0.02 2.62 0.21 0.03 0.01 0.01 0.00 96.76 0.36 32 H E E 52.71 9.99 7.92 19.64 110.13 -137.94 -89.37 118.92 47.23 52.67 0.10 46.02 0.95 0.20 0.03 0.05 0.00 51.86 0.88 33 K C T 166.33 0.89 11.62 12.57 93.33 -151.04 -66.14 -28.29 98.13 0.33 1.53 0.39 2.76 95.17 0.06 1.32 0.00 0.23 0.07 34 L C T 130.68 1.18 10.73 12.27 97.33 48.20 -74.84 -38.59 98.46 0.14 1.40 0.18 2.11 96.41 0.04 1.14 0.00 0.08 0.05 35 Y C T 135.50 2.90 10.05 14.29 101.47 23.64 -105.50 -10.51 98.73 0.15 1.12 0.37 2.15 96.43 0.05 0.88 0.00 0.09 0.04 36 G C C 52.81 2.42 10.99 14.92 95.87 -124.37 73.20 11.37 98.64 1.07 0.29 51.18 5.88 41.51 0.06 0.20 0.00 1.04 0.12 37 K C C 111.45 2.99 12.00 16.72 122.85 127.52 -101.69 150.58 66.35 33.62 0.03 62.12 2.23 0.16 0.01 0.02 0.00 35.14 0.33 38 R E E 139.40 6.14 11.58 19.71 116.84 -120.60 -91.65 134.85 1.18 98.82 0.00 1.06 0.05 0.00 0.00 0.00 0.00 98.80 0.10 39 V E E 48.83 9.46 12.54 24.04 125.37 -172.42 -122.70 142.66 0.45 99.55 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.00 40 K E E 122.96 6.26 14.48 22.73 119.59 -140.70 -103.50 133.84 0.34 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 41 Y E E 76.83 10.24 13.76 25.63 130.11 -177.39 -133.43 149.13 0.46 99.54 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 42 S E E 59.66 8.89 14.83 25.06 124.77 -151.36 -118.87 143.21 2.16 97.84 0.00 1.92 0.06 0.00 0.00 0.00 0.00 98.01 0.02 43 K E E 79.58 10.38 15.76 27.16 130.38 -172.18 -133.12 147.60 3.35 96.65 0.00 2.99 0.21 0.01 0.00 0.00 0.00 96.74 0.04 44 K E E 115.48 7.40 18.26 27.02 119.18 -136.16 -101.96 132.89 5.02 94.98 0.00 4.56 0.36 0.02 0.00 0.00 0.00 94.97 0.09 45 Y E E 30.81 18.64 15.30 34.20 130.30 -174.28 -127.99 146.63 6.48 93.51 0.00 6.22 0.27 0.02 0.00 0.00 0.00 93.17 0.33 46 K E E 92.58 8.70 23.89 33.15 121.05 -142.56 -102.84 138.39 12.33 87.66 0.01 11.78 0.62 0.05 0.00 0.01 0.00 87.04 0.51 47 T E E 8.52 23.59 16.27 39.89 131.78 -173.03 -130.63 148.69 29.90 70.06 0.04 28.58 1.04 0.09 0.01 0.03 0.00 69.27 0.98 48 H E E 68.09 9.66 23.61 33.82 121.39 -141.82 -113.41 132.27 32.14 67.76 0.11 29.13 1.94 0.20 0.05 0.07 0.00 59.96 8.65 49 D C C 22.39 19.08 13.38 32.22 110.52 -164.95 -113.32 102.90 86.82 12.98 0.21 84.63 2.05 0.44 0.05 0.14 0.00 11.00 1.69 50 E C T 127.09 4.04 17.24 22.72 94.48 -165.71 -69.32 -26.20 96.69 1.20 2.10 20.47 18.18 57.55 0.16 2.48 0.00 0.82 0.35 51 N C T 110.12 2.25 17.70 19.74 96.41 41.81 -93.92 5.27 97.03 0.66 2.31 4.36 30.01 62.45 0.12 2.42 0.00 0.39 0.24 52 N C S 82.69 11.79 13.48 25.83 93.87 -120.22 62.98 32.69 96.11 2.32 1.58 27.60 60.44 7.89 0.15 1.68 0.00 1.34 0.90 53 S C C 60.70 5.39 21.79 27.61 100.15 124.04 -96.50 0.35 93.60 6.02 0.37 86.63 5.17 1.69 0.10 0.31 0.00 2.99 3.09 54 A C C 7.63 24.51 10.90 34.71 125.53 114.48 -105.01 146.83 89.66 10.18 0.16 88.70 2.09 0.32 0.05 0.11 0.00 4.70 4.04 55 K C C 115.95 3.06 25.09 28.48 131.18 -166.70 -128.18 154.03 92.58 7.32 0.09 92.36 1.30 0.22 0.03 0.05 0.00 2.91 3.13 56 L C T 88.59 12.08 16.06 28.40 110.51 -83.38 -59.44 134.95 99.45 0.44 0.11 0.20 1.54 97.91 0.00 0.07 0.00 0.18 0.09 57 G C T 37.06 5.51 20.67 27.34 96.66 26.51 89.90 -7.23 99.91 0.06 0.03 0.26 1.59 98.07 0.00 0.03 0.00 0.04 0.00 58 D C C 26.55 15.09 17.43 33.77 117.92 133.79 -70.53 146.63 97.20 2.80 0.00 96.24 1.15 0.01 0.00 0.00 0.00 2.53 0.06 59 I E E 52.14 11.01 24.71 36.52 115.65 -128.49 -94.91 130.54 0.55 99.45 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.32 0.11 60 V E E 2.91 26.08 17.16 44.03 130.91 -174.86 -128.75 150.79 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 61 K E E 72.37 9.00 27.16 37.16 118.73 -133.98 -102.16 133.02 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 62 I E E 9.38 24.33 15.67 40.51 114.03 -133.31 -86.23 127.15 0.51 99.49 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.01 63 Q E E 68.57 8.51 23.23 31.93 123.40 -173.46 -113.56 152.43 5.31 94.67 0.02 4.41 0.47 0.05 0.00 0.01 0.00 94.99 0.06 64 E E E 95.16 7.99 21.24 29.60 117.06 -67.28 -82.87 139.55 9.15 90.81 0.04 7.45 1.18 0.13 0.01 0.02 0.00 90.98 0.23 65 T E E 29.96 18.77 11.98 29.97 131.82 -176.10 -131.35 151.13 29.60 70.30 0.10 26.79 2.33 0.21 0.02 0.07 0.00 69.58 1.00 66 R C C 146.81 2.99 18.89 22.35 117.45 -126.21 -102.82 132.50 56.01 43.88 0.11 45.33 9.71 0.50 0.02 0.09 0.00 43.51 0.83 67 P C C 65.11 11.29 10.28 22.15 112.93 -108.89 -67.84 140.31 68.49 31.02 0.49 58.43 8.00 1.77 0.10 0.43 0.00 29.22 2.04 68 L C S 114.92 3.08 12.70 17.22 98.73 -163.87 -83.94 -28.73 87.39 11.92 0.69 27.12 51.52 9.13 0.11 0.66 0.00 9.64 1.83 69 S C S 54.74 2.70 13.77 17.23 136.69 2.90 -149.90 168.69 85.67 13.46 0.88 20.64 55.48 10.04 0.15 0.81 0.00 8.80 4.08 70 A C S 94.51 1.84 11.58 14.68 91.75 -95.19 -65.48 -24.51 98.09 0.63 1.28 3.05 62.11 33.23 0.12 0.94 0.00 0.35 0.20 71 T C S 96.58 2.55 14.18 17.27 99.68 46.38 -96.91 -11.34 96.82 2.19 0.99 4.34 60.47 32.35 0.08 0.81 0.00 1.63 0.33 72 K C C 69.38 11.34 13.64 25.96 121.08 53.87 -114.95 129.86 58.22 41.19 0.59 44.25 11.77 2.35 0.13 0.54 0.00 38.37 2.60 73 R E E 69.65 12.14 18.64 31.56 129.39 107.22 -128.52 147.08 31.08 68.81 0.11 27.15 2.73 0.37 0.03 0.08 0.00 68.67 0.98 74 F E E 15.66 21.37 17.33 38.88 126.42 -156.31 -120.91 142.58 10.69 89.28 0.03 9.37 0.78 0.06 0.01 0.01 0.00 89.59 0.16 75 R E E 79.94 9.68 25.69 35.89 123.54 -154.95 -118.41 136.48 1.41 98.56 0.03 1.28 0.06 0.01 0.01 0.00 0.00 98.59 0.04 76 L E E 14.87 22.45 15.10 38.06 109.82 -117.95 -74.73 125.84 0.61 99.38 0.01 0.61 0.01 0.00 0.01 0.00 0.00 99.35 0.02 77 V E E 61.61 7.97 21.40 30.31 101.60 175.89 -98.02 -32.44 1.32 98.58 0.10 1.00 0.17 0.02 0.03 0.03 0.00 98.75 0.01 78 E E E 91.57 4.17 24.00 28.55 137.58 -1.11 -151.03 149.19 0.85 99.05 0.10 0.68 0.07 0.01 0.02 0.03 0.00 99.18 0.01 79 I E E 56.82 17.83 13.34 30.55 111.62 -127.81 -89.69 121.16 1.74 98.13 0.12 1.71 0.05 0.01 0.05 0.03 0.00 98.11 0.04 80 V E E 64.30 7.67 17.51 26.53 101.85 177.26 -94.79 -32.00 12.97 86.47 0.56 10.34 2.13 0.33 0.21 0.22 0.00 86.54 0.23 81 E E E 97.99 5.31 18.52 24.98 135.96 -2.57 -149.08 149.98 21.01 77.89 1.10 16.56 3.90 1.11 0.34 0.61 0.00 76.96 0.53 82 E C E 107.46 9.83 13.68 24.43 119.99 -137.57 -100.63 135.18 51.06 46.02 2.91 39.80 7.51 3.29 0.68 1.82 0.00 46.19 0.69 83 S C C 50.01 10.56 11.86 23.09 117.51 -150.14 -95.54 141.61 69.42 27.59 2.99 48.13 14.51 5.70 0.55 2.29 0.00 27.95 0.88 84 V C C 90.94 5.41 12.00 19.16 118.51 -147.15 -108.81 131.53 63.50 34.02 2.48 49.46 10.01 3.31 0.61 1.75 0.00 33.39 1.48 85 I C C 110.10 5.28 10.64 17.80 113.77 -141.25 -94.18 125.08 67.68 31.54 0.78 64.71 1.28 0.97 0.28 0.37 0.00 30.05 2.34 86 I C C 92.76 8.16 11.35 20.77 112.06 -161.71 -94.81 119.26 99.55 0.45 0.00 99.60 0.05 0.01 0.00 0.00 0.00 0.34 0.01