# 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 77.85 12.00 12.82 25.16 116.49 -165.15 -95.85 131.99 99.78 0.21 0.01 99.79 0.06 0.02 0.00 0.00 0.00 0.12 0.01 1 E C C 124.55 4.50 13.40 19.49 112.40 -165.52 -98.97 121.74 82.28 16.00 1.71 79.74 1.07 1.98 0.63 0.66 0.00 12.93 2.98 2 A C C 58.08 7.41 12.45 21.19 117.50 -164.91 -100.98 138.76 76.52 21.47 2.00 50.50 19.00 7.05 0.35 1.69 0.00 19.96 1.45 3 K C C 103.25 8.89 15.43 24.94 111.70 -150.14 -94.00 122.55 75.13 23.97 0.90 39.95 28.83 5.03 0.10 0.85 0.00 24.68 0.57 4 F E E 43.63 15.28 15.25 30.98 126.33 11.34 -122.42 144.08 27.76 71.94 0.30 23.15 3.47 0.68 0.06 0.23 0.00 71.92 0.48 5 F E E 77.06 12.31 18.88 31.68 126.79 -165.86 -122.69 140.87 5.38 94.59 0.03 4.93 0.28 0.03 0.01 0.01 0.00 94.61 0.13 6 R E E 56.84 16.01 18.08 34.01 127.31 -172.14 -126.46 139.79 1.31 98.68 0.00 1.17 0.06 0.00 0.00 0.00 0.00 98.75 0.02 7 F E E 74.97 10.75 22.79 33.85 120.60 -152.09 -110.46 130.21 0.83 99.17 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.22 0.01 8 L E E 9.68 23.43 16.44 40.01 123.38 -168.87 -117.17 134.94 0.75 99.25 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.28 0.01 9 K E E 85.31 7.83 26.09 34.51 116.87 -152.43 -104.83 126.37 0.60 99.40 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 10 I E E 8.81 24.39 16.03 40.94 118.02 -162.93 -108.05 125.41 2.06 97.93 0.01 1.99 0.06 0.01 0.01 0.00 0.00 97.87 0.06 11 V E E 55.86 8.52 24.54 33.55 121.46 -170.40 -118.22 130.60 13.24 86.68 0.09 10.77 1.86 0.31 0.02 0.06 0.00 86.67 0.31 12 G C E 19.87 15.23 18.59 33.34 133.45 91.13 -124.64 164.47 58.36 41.51 0.13 26.54 29.11 2.62 0.01 0.14 0.00 40.95 0.63 13 V C C 75.27 9.95 19.05 29.13 114.59 -132.30 -96.38 127.99 71.85 27.67 0.48 37.24 26.60 8.84 0.07 0.51 0.00 24.71 2.04 14 G C S 37.73 7.18 20.10 27.82 100.81 22.21 85.98 -5.59 89.29 10.41 0.30 27.70 50.37 11.03 0.03 0.35 0.00 9.56 0.96 15 Y C C 62.33 16.30 15.22 31.17 124.86 101.50 -107.54 147.89 78.90 20.77 0.33 39.92 37.91 2.05 0.07 0.29 0.00 17.16 2.61 16 K C C 121.09 5.10 23.96 29.28 111.61 -123.43 -85.98 125.74 66.87 32.97 0.16 60.10 4.65 0.65 0.03 0.14 0.00 32.89 1.54 17 A E E 13.26 24.25 11.34 34.70 128.88 -166.15 -120.41 151.81 34.90 64.95 0.15 32.60 1.82 0.17 0.03 0.10 0.00 64.66 0.62 18 R E E 120.03 4.55 25.87 31.08 127.74 -163.65 -128.56 144.35 5.24 94.68 0.08 4.68 0.44 0.06 0.03 0.04 0.00 94.48 0.29 19 A E E 28.93 21.89 12.67 33.45 123.83 -153.05 -116.81 134.80 2.81 97.14 0.04 2.53 0.15 0.02 0.01 0.02 0.00 97.23 0.06 20 E E E 91.20 4.73 21.81 27.20 127.60 -175.65 -130.93 144.54 2.19 97.76 0.04 1.78 0.18 0.04 0.00 0.02 0.00 97.94 0.03 21 E E E 108.70 10.13 12.20 23.38 115.79 -136.20 -98.20 127.29 6.32 93.57 0.12 4.92 0.73 0.22 0.02 0.06 0.00 93.95 0.09 22 A E E 66.87 3.75 13.77 19.09 112.67 172.42 -126.35 98.15 17.67 82.01 0.32 12.00 3.76 1.94 0.05 0.27 0.00 81.48 0.49 23 G C T 57.64 1.02 15.43 15.71 110.40 -56.90 63.26 -131.82 98.79 0.89 0.32 1.60 15.82 81.37 0.01 0.36 0.00 0.76 0.09 24 R C T 140.61 7.55 13.76 22.53 97.02 -14.28 -96.82 6.98 99.30 0.50 0.21 1.26 17.05 81.00 0.01 0.23 0.00 0.42 0.04 25 F E E 73.03 9.83 17.83 28.96 125.63 87.29 -112.76 141.08 3.24 96.75 0.00 2.21 0.60 0.04 0.00 0.00 0.00 97.04 0.10 26 L E E 7.50 22.34 15.36 38.61 119.60 -151.68 -108.75 130.90 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 27 Y E E 53.04 9.92 25.08 36.18 119.06 -160.90 -111.03 129.17 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 28 L E E 5.39 24.20 17.31 42.19 121.58 -165.93 -114.47 131.99 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 29 K E E 74.09 8.60 24.76 33.87 116.09 -155.78 -106.64 123.64 0.80 99.19 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.21 0.03 30 L E E 15.48 21.30 15.46 36.31 116.29 -174.73 -115.98 119.38 18.99 80.85 0.16 14.85 3.52 0.70 0.03 0.13 0.00 80.27 0.50 31 G C T 27.50 10.08 17.89 28.34 112.44 -43.95 79.69 -152.82 91.10 6.65 2.25 5.89 26.02 59.23 0.10 2.49 0.00 5.56 0.70 32 Y C T 125.80 7.46 15.29 23.46 110.54 18.50 -85.69 9.34 96.34 1.10 2.56 4.72 28.72 62.64 0.11 2.80 0.00 0.67 0.34 33 S C S 81.68 3.52 14.52 19.07 99.30 -80.39 -83.61 -9.44 92.27 5.50 2.23 11.42 50.01 30.96 0.12 2.48 0.00 4.09 0.92 34 H C C 106.82 4.58 15.30 21.32 119.20 75.84 -101.83 137.99 74.58 25.19 0.23 59.51 13.36 1.20 0.03 0.24 0.00 24.74 0.93 35 E C C 106.63 9.10 14.49 24.80 117.01 -129.37 -85.59 137.35 52.87 47.11 0.03 51.12 0.92 0.05 0.00 0.02 0.00 47.53 0.35 36 V E E 33.03 15.05 14.64 30.58 123.72 -162.73 -119.50 136.12 2.66 97.33 0.00 2.51 0.09 0.00 0.00 0.00 0.00 97.29 0.10 37 E E E 109.59 7.42 19.92 28.72 118.35 -151.45 -107.90 128.09 0.47 99.53 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.53 0.02 38 L E E 23.92 18.83 14.73 33.69 129.81 -173.39 -130.93 144.64 1.11 98.89 0.00 1.10 0.03 0.00 0.00 0.00 0.00 98.84 0.04 39 A E E 68.90 4.12 24.38 28.89 113.47 -116.53 -77.51 134.77 7.96 92.04 0.00 7.93 0.21 0.01 0.00 0.00 0.00 91.49 0.35 40 V C C 14.24 24.19 11.98 35.95 116.25 -144.28 -96.65 130.10 87.52 12.47 0.01 87.34 0.76 0.01 0.00 0.00 0.00 11.47 0.42 41 P C C 29.65 11.86 17.41 30.82 115.88 -108.99 -66.29 152.87 99.61 0.38 0.01 99.08 0.58 0.05 0.00 0.00 0.00 0.22 0.05 42 P C T 106.86 2.63 20.80 23.81 95.50 -96.99 -61.74 -24.10 99.47 0.22 0.32 0.60 7.65 91.27 0.01 0.28 0.00 0.13 0.04 43 A C T 41.24 11.15 17.85 29.62 93.27 54.60 -77.32 -4.98 99.27 0.50 0.23 1.04 6.67 91.57 0.01 0.24 0.00 0.44 0.03 44 V E E 6.46 24.86 12.33 37.43 119.60 92.06 -101.95 132.65 42.11 57.76 0.13 35.31 5.90 0.34 0.01 0.15 0.00 57.72 0.57 45 R E E 108.48 6.37 26.75 33.72 119.77 -164.92 -114.34 128.63 4.80 95.18 0.02 4.39 0.21 0.02 0.00 0.01 0.00 95.24 0.12 46 V E E 8.67 25.29 15.59 41.08 124.31 -168.99 -122.21 133.27 0.85 99.15 0.00 0.78 0.02 0.00 0.00 0.00 0.00 99.19 0.01 47 F E E 83.83 7.53 26.54 34.55 124.75 -171.16 -124.18 135.66 0.40 99.60 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.61 0.01 48 C E E 20.54 20.19 13.55 33.52 113.11 -147.48 -100.40 117.61 2.88 97.12 0.01 2.63 0.12 0.01 0.00 0.00 0.00 97.18 0.05 49 F E E 106.49 5.63 18.71 25.41 98.90 171.77 -86.35 -35.27 20.21 79.66 0.13 12.10 6.37 1.10 0.01 0.12 0.00 80.12 0.18 50 K E E 116.33 2.42 20.15 21.99 135.26 -5.62 -146.26 157.30 30.58 68.80 0.62 3.38 14.48 16.97 0.03 0.62 0.00 63.62 0.90 51 N C T 101.98 6.52 17.36 24.81 98.87 -68.42 -57.76 -23.40 99.32 0.26 0.42 0.81 9.29 89.21 0.01 0.46 0.00 0.17 0.04 52 N C T 51.94 15.83 15.63 30.88 99.77 14.01 -114.52 15.49 99.19 0.59 0.22 1.21 10.21 87.74 0.01 0.25 0.00 0.55 0.04 53 V E E 37.54 10.51 21.69 33.97 120.11 105.10 -112.41 128.32 3.13 96.86 0.00 2.65 0.23 0.01 0.00 0.00 0.00 96.93 0.17 54 V E E 4.00 24.61 17.99 43.43 123.52 -169.71 -119.39 133.05 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 55 C E E 20.63 11.95 27.75 41.15 121.24 -161.76 -115.83 132.26 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.96 0.00 56 C E E 1.81 26.55 19.56 47.08 124.98 -168.86 -122.71 136.27 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 57 T E E 36.56 11.30 26.91 38.83 132.37 -173.66 -132.26 150.74 0.34 99.66 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 58 G E E 8.90 16.75 20.50 37.39 144.30 118.27 165.44 171.32 17.68 82.31 0.01 14.58 2.58 0.06 0.00 0.01 0.00 82.53 0.25 59 I C S 86.94 9.62 20.78 30.76 94.95 -87.45 -80.00 -18.51 97.47 2.50 0.03 9.61 87.47 0.58 0.00 0.01 0.00 2.21 0.10 60 D C C 57.55 8.74 18.02 27.95 109.98 73.64 -102.54 109.15 99.05 0.83 0.12 85.42 13.39 0.36 0.08 0.04 0.00 0.35 0.36 61 K H H 104.89 11.31 14.99 26.99 93.72 -164.42 -64.05 -36.42 4.43 0.01 95.56 0.48 0.64 3.12 94.38 1.34 0.01 0.00 0.01 62 Q H H 126.04 1.60 21.27 21.73 91.99 53.70 -64.45 -40.89 2.98 0.00 97.01 0.14 0.22 2.65 95.34 1.62 0.01 0.00 0.00 63 R H H 81.95 10.17 19.55 30.19 92.28 46.11 -67.00 -39.55 1.63 0.00 98.37 0.14 0.11 1.28 96.72 1.74 0.00 0.00 0.00 64 V H H 4.95 24.65 14.37 39.15 91.14 51.91 -62.98 -43.48 0.48 0.00 99.52 0.08 0.05 0.28 99.38 0.20 0.00 0.00 0.00 65 H H H 90.91 8.75 22.84 31.70 91.59 51.36 -63.33 -41.52 0.13 0.00 99.87 0.02 0.01 0.08 99.86 0.04 0.00 0.00 0.00 66 Q H H 98.34 2.88 25.80 27.82 91.65 49.86 -64.65 -41.91 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 67 F H H 16.34 19.51 21.19 40.45 91.68 48.75 -64.70 -42.95 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 68 A H H 6.59 22.97 19.58 42.23 91.19 51.38 -62.99 -42.25 0.26 0.00 99.74 0.03 0.01 0.14 99.79 0.02 0.00 0.00 0.00 69 A H H 50.05 4.56 24.42 29.07 91.00 51.38 -63.29 -41.55 0.24 0.00 99.76 0.03 0.01 0.14 99.79 0.04 0.00 0.00 0.00 70 T H H 57.19 6.88 23.74 30.94 91.60 49.83 -64.98 -41.53 0.38 0.00 99.61 0.04 0.02 0.27 99.56 0.12 0.00 0.00 0.00 71 V H H 4.06 24.94 16.68 41.86 91.67 49.84 -63.92 -42.59 0.76 0.00 99.23 0.06 0.04 0.59 98.94 0.36 0.00 0.00 0.00 72 R H H 86.68 14.70 18.75 32.85 90.78 53.23 -64.15 -34.62 6.61 0.03 93.37 0.36 0.32 5.80 92.63 0.86 0.01 0.01 0.01 73 S H H 81.46 2.10 21.41 22.98 91.29 55.68 -74.76 -18.50 41.73 0.09 58.18 1.41 1.54 37.31 58.21 1.43 0.02 0.03 0.05 74 C C T 44.75 13.44 14.89 28.56 97.12 61.79 -82.62 -16.11 65.64 1.47 32.89 12.57 16.50 35.88 31.30 2.26 0.09 0.51 0.87 75 K C S 94.91 9.84 17.02 27.41 122.31 33.44 -128.76 126.10 96.28 3.39 0.34 33.32 63.13 0.47 0.25 0.07 0.00 1.12 1.64 76 P C C 71.89 8.33 17.03 26.25 117.32 -113.32 -67.67 151.63 99.04 0.91 0.05 97.34 1.66 0.18 0.02 0.02 0.00 0.47 0.31 77 P C C 48.03 15.19 11.95 27.02 114.96 -103.83 -67.00 149.07 97.24 2.42 0.33 93.00 3.51 0.42 0.13 0.15 0.00 0.73 2.06 78 E C C 106.29 6.12 16.34 23.57 112.55 -111.49 -80.55 135.96 97.13 2.30 0.57 91.68 4.43 0.76 0.19 0.30 0.00 0.75 1.91 79 P C T 86.21 6.23 13.76 21.37 96.80 -121.99 -65.40 -21.79 90.43 2.04 7.54 15.94 22.04 52.34 1.22 6.34 0.00 1.03 1.10 80 Y C T 116.84 8.54 11.15 20.61 99.99 52.33 -91.30 14.27 85.89 6.10 8.02 18.94 17.95 49.19 1.66 6.18 0.03 3.19 2.86 81 K C T 144.98 3.34 14.03 18.63 102.83 94.40 -75.38 66.34 84.49 6.85 8.66 14.88 20.66 48.90 1.36 7.12 0.04 3.48 3.56 82 G C T 45.27 7.33 12.82 21.09 99.89 -50.08 82.83 3.04 89.66 3.89 6.45 16.57 24.37 48.77 0.81 5.73 0.00 2.40 1.34 83 K C C 124.55 4.69 15.97 21.82 105.33 124.67 -88.13 17.93 85.90 9.50 4.60 34.27 30.57 21.82 0.69 3.98 0.01 6.10 2.55 84 G C C 25.28 11.24 16.62 28.32 111.61 -32.80 97.42 -1.63 70.20 28.15 1.65 33.84 23.65 14.35 0.23 1.55 0.00 24.56 1.81 85 I E E 42.85 17.41 13.48 30.65 121.34 79.00 -111.22 135.52 35.25 64.50 0.26 31.89 2.51 0.29 0.08 0.18 0.00 62.47 2.59 86 M E E 92.38 7.34 18.69 27.36 127.00 -171.86 -125.90 142.09 22.55 77.37 0.08 21.22 0.92 0.08 0.04 0.04 0.00 75.36 2.35 87 Y E E 87.72 13.16 12.92 26.42 117.27 -136.31 -96.43 132.85 36.01 63.84 0.15 34.68 1.08 0.14 0.06 0.09 0.00 60.87 3.09 88 T C T 83.71 5.53 13.89 20.84 100.48 -143.98 -77.80 -26.24 73.72 25.15 1.13 9.58 11.69 53.67 0.13 1.01 0.00 22.94 0.99 89 D C T 121.44 1.39 15.74 16.78 97.03 31.48 -90.08 17.57 87.24 12.01 0.74 6.41 20.66 59.40 0.05 0.76 0.00 12.38 0.34 90 E C C 65.20 13.21 9.84 23.39 120.56 113.29 -95.91 141.95 77.96 21.50 0.54 61.44 15.22 0.88 0.11 0.46 0.00 21.09 0.81 91 V E E 84.77 4.52 18.17 23.69 116.78 -142.59 -104.48 127.13 42.85 57.00 0.15 41.76 1.00 0.13 0.06 0.07 0.00 55.24 1.74 92 V E E 44.86 16.94 10.82 27.44 118.64 -159.99 -105.16 130.15 33.47 66.41 0.12 32.88 0.57 0.08 0.06 0.05 0.00 65.44 0.93 93 K E E 117.56 4.14 18.01 23.22 122.06 -168.98 -115.36 137.76 32.08 67.69 0.24 30.66 1.04 0.18 0.14 0.10 0.00 65.93 1.96 94 K C C 112.07 9.39 12.05 22.53 116.18 -129.50 -83.91 136.51 53.35 46.00 0.65 48.35 3.68 0.70 0.33 0.36 0.00 44.53 2.06 95 K C C 105.50 6.93 10.58 19.13 114.32 -129.38 -85.77 134.37 87.54 10.95 1.51 77.65 7.26 2.44 0.48 1.02 0.00 9.46 1.69 96 Q C T 142.63 1.78 11.81 14.75 109.38 -115.90 -69.74 134.98 90.05 5.18 4.77 30.60 16.87 43.31 0.97 3.49 0.00 3.67 1.07 97 G C T 57.36 2.09 11.32 14.16 104.80 21.61 82.74 -2.72 91.92 3.43 4.66 28.35 18.66 45.45 0.83 3.66 0.00 2.21 0.85 98 K C C 119.35 5.70 8.22 15.47 109.37 107.23 -87.90 108.52 88.32 5.60 6.08 63.55 14.66 9.85 1.45 4.82 0.00 3.44 2.22 99 K C C 146.24 2.69 9.13 13.60 112.75 -136.69 -92.28 126.10 91.69 4.73 3.58 63.12 16.90 11.78 1.04 2.54 0.00 2.92 1.70 100 S C C 83.13 2.94 8.30 13.13 112.02 -142.32 -89.97 130.56 96.47 2.23 1.30 85.48 4.05 7.18 0.36 0.73 0.00 1.47 0.74 101 K C C 159.42 2.00 11.02 14.38 107.41 -131.18 -85.10 104.30 99.90 0.08 0.01 99.73 0.14 0.07 0.00 0.00 0.00 0.04 0.01