# 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 A C C 62.89 8.91 13.03 22.75 117.18 -169.83 -94.96 139.17 99.89 0.10 0.01 99.87 0.05 0.02 0.00 0.00 0.00 0.05 0.00 1 S C C 69.82 5.23 13.25 20.06 117.52 -154.96 -103.18 133.58 77.41 20.22 2.37 73.68 1.59 1.69 1.22 0.82 0.00 19.55 1.43 2 L C C 100.17 7.19 12.64 21.33 115.61 -147.70 -96.31 129.72 54.71 42.12 3.18 44.36 7.52 2.35 1.78 1.30 0.00 41.16 1.53 3 K E E 87.98 12.02 13.18 25.63 122.06 -169.48 -111.51 137.06 40.20 57.20 2.60 34.41 3.97 1.28 1.24 1.01 0.00 57.24 0.86 4 S E E 55.99 7.40 19.01 27.20 126.22 -149.29 -116.17 144.98 29.92 67.65 2.43 25.56 2.80 0.89 1.29 0.83 0.00 67.94 0.68 5 I E E 58.02 16.92 13.88 30.34 127.16 -167.89 -125.98 139.06 20.14 77.66 2.20 17.89 1.48 0.47 1.30 0.66 0.00 77.66 0.54 6 I E E 78.91 8.28 19.54 28.71 122.75 -165.63 -119.37 134.67 12.03 85.84 2.13 11.00 0.81 0.37 1.31 0.64 0.00 85.15 0.73 7 R E E 114.36 10.68 16.48 27.65 114.40 -126.77 -83.36 131.38 19.81 77.99 2.19 18.15 1.23 0.51 1.37 0.74 0.00 76.58 1.42 8 Q C C 63.15 13.74 12.43 26.28 110.78 -149.98 -89.24 123.29 68.65 27.41 3.94 60.46 4.72 2.16 1.88 1.84 0.00 27.68 1.26 9 G C C 46.20 4.35 15.79 21.07 113.98 -141.26 -24.96 -127.03 86.38 7.16 6.46 48.16 26.73 11.80 2.85 3.55 0.00 5.90 1.00 10 K C C 147.77 3.26 14.18 18.68 107.09 -42.02 -88.83 71.98 85.02 3.98 11.00 38.55 30.82 16.47 4.84 5.67 0.01 2.32 1.32 11 Q C C 97.63 7.93 11.84 20.99 115.20 108.91 -91.45 133.62 84.91 2.72 12.37 43.62 29.88 11.83 7.37 4.76 0.00 1.37 1.17 12 T C C 77.79 5.91 13.91 21.08 113.14 -132.25 -86.52 136.90 83.93 1.74 14.33 54.66 17.69 11.34 10.26 4.35 0.00 0.84 0.85 13 R C C 127.66 8.51 12.61 21.99 101.11 -152.41 -75.15 -16.98 61.50 0.91 37.60 35.92 15.84 9.47 34.12 3.83 0.01 0.35 0.47 14 S H H 67.99 2.89 16.54 19.53 96.65 66.62 -68.25 -39.57 36.17 0.50 63.33 15.55 9.96 11.78 57.68 4.55 0.03 0.22 0.24 15 D H H 69.98 7.02 18.01 25.67 94.45 49.99 -68.61 -36.75 22.61 0.46 76.93 10.76 4.69 8.21 71.94 3.95 0.03 0.23 0.19 16 L H H 17.64 20.54 13.01 32.89 92.94 53.28 -65.85 -40.40 13.05 0.32 86.63 7.43 2.34 4.19 82.90 2.84 0.01 0.17 0.11 17 K H H 97.62 6.01 19.24 25.98 91.86 53.20 -63.54 -40.86 7.63 0.28 92.09 4.58 1.48 2.43 89.57 1.69 0.01 0.16 0.09 18 Q H H 97.03 2.33 21.18 22.33 92.00 50.65 -64.49 -41.35 5.69 0.42 93.89 3.05 1.11 2.16 91.65 1.63 0.02 0.28 0.11 19 L H H 19.46 15.83 14.87 31.52 92.43 50.21 -65.23 -42.02 4.79 0.61 94.60 2.44 0.82 2.06 92.06 2.02 0.02 0.45 0.13 20 R H H 77.40 15.56 14.30 29.30 92.05 51.74 -63.42 -40.91 4.54 0.58 94.88 1.72 0.61 2.37 91.63 3.05 0.02 0.47 0.12 21 K H H 160.10 1.26 18.20 18.79 91.08 52.74 -66.52 -27.14 14.35 0.88 84.76 1.87 1.29 11.41 80.96 3.48 0.15 0.61 0.24 22 S C T 70.81 3.14 17.32 20.78 92.56 53.47 -86.21 -3.94 79.81 0.10 20.09 0.84 1.83 76.89 18.32 2.02 0.00 0.04 0.07 23 G C T 29.53 9.94 15.93 27.02 96.45 -106.45 85.62 8.65 99.60 0.26 0.14 2.01 3.27 94.40 0.03 0.06 0.00 0.20 0.02 24 K C C 73.03 11.55 20.28 32.09 125.63 126.32 -100.19 150.13 51.82 48.16 0.01 48.69 2.11 0.07 0.00 0.01 0.00 48.26 0.86 25 V E E 9.75 22.71 19.12 42.00 115.73 -136.35 -103.41 124.89 6.55 93.45 0.00 6.45 0.15 0.00 0.00 0.00 0.00 93.25 0.15 26 P E E 26.83 14.44 25.55 40.39 115.58 -125.20 -70.92 143.90 3.39 96.61 0.00 3.34 0.06 0.00 0.00 0.00 0.00 96.56 0.04 27 A E E 4.23 24.04 19.38 43.31 138.05 168.95 -143.24 159.38 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 28 V E E 33.71 12.79 25.85 39.29 118.72 -130.23 -108.52 129.38 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 29 V E E 8.28 22.75 19.01 41.97 118.81 -161.07 -109.73 127.24 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.01 30 Y E E 75.74 10.77 21.33 32.65 123.45 -171.86 -119.64 137.10 5.92 94.06 0.02 5.04 0.45 0.04 0.00 0.01 0.00 94.34 0.11 31 G C C 18.50 12.17 15.50 28.46 138.33 147.99 -157.37 172.11 64.39 35.48 0.13 51.75 10.54 0.83 0.02 0.13 0.00 35.81 0.92 32 Y C T 163.57 4.19 13.77 19.42 107.98 -52.86 -65.01 125.18 95.05 3.29 1.66 4.62 28.22 62.40 0.11 1.65 0.00 2.38 0.62 33 G C T 68.14 0.45 14.21 12.56 96.39 5.35 79.92 -0.52 97.83 0.76 1.40 3.97 28.87 64.91 0.07 1.49 0.00 0.51 0.18 34 T C S 68.29 6.68 9.92 18.52 128.33 89.79 -122.83 157.95 85.55 12.96 1.50 24.09 54.00 7.76 0.23 1.33 0.00 9.99 2.59 35 K C C 152.02 1.65 16.97 18.47 114.30 -97.43 -75.82 141.57 78.94 20.67 0.38 65.89 9.84 1.67 0.07 0.33 0.00 21.37 0.81 36 N C C 77.63 14.18 11.45 25.07 116.20 -111.73 -80.06 138.39 59.91 39.91 0.18 52.23 5.21 0.67 0.03 0.15 0.00 41.16 0.54 37 V E E 50.79 10.69 18.97 30.72 123.69 -167.94 -123.03 133.13 6.85 93.12 0.03 5.90 0.72 0.06 0.01 0.02 0.00 92.91 0.38 38 S E E 46.46 11.87 20.50 32.50 117.15 -123.97 -76.81 142.12 2.90 97.09 0.01 2.47 0.18 0.01 0.00 0.00 0.00 97.28 0.05 39 V E E 9.37 22.39 17.86 40.50 126.18 -166.34 -123.31 139.94 1.30 98.70 0.00 1.18 0.04 0.00 0.00 0.00 0.00 98.75 0.02 40 K E E 74.60 12.64 24.47 37.15 124.77 -157.74 -117.76 138.51 0.70 99.30 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.32 0.03 41 V E E 7.60 22.97 17.12 40.27 132.08 -177.97 -133.78 149.84 3.54 96.45 0.00 3.38 0.08 0.00 0.00 0.00 0.00 96.40 0.14 42 D E E 60.23 6.67 24.56 31.61 113.38 -107.05 -71.46 140.79 33.47 66.51 0.03 33.44 0.36 0.01 0.01 0.01 0.00 65.83 0.33 43 E H H 56.78 17.61 15.18 32.47 91.71 -123.57 -58.21 -38.33 1.05 0.00 98.95 0.17 0.09 0.62 98.62 0.49 0.00 0.00 0.00 44 V H H 89.71 2.75 22.91 25.00 91.54 54.63 -63.54 -40.06 0.24 0.00 99.76 0.02 0.01 0.17 99.29 0.50 0.00 0.00 0.00 45 E H H 59.11 10.55 20.33 31.50 91.80 49.76 -66.04 -40.42 0.13 0.00 99.87 0.01 0.00 0.08 99.32 0.58 0.00 0.00 0.00 46 F H H 3.69 26.25 15.72 42.42 91.37 50.75 -63.70 -43.51 0.15 0.00 99.85 0.01 0.01 0.09 99.73 0.15 0.00 0.00 0.00 47 I H H 53.46 11.84 20.84 32.98 91.43 51.03 -63.08 -42.14 0.16 0.00 99.84 0.02 0.01 0.08 99.86 0.03 0.00 0.00 0.00 48 K H H 106.43 2.69 23.83 25.42 91.67 50.84 -64.05 -41.63 0.34 0.00 99.66 0.04 0.01 0.20 99.70 0.05 0.00 0.00 0.00 49 V H H 14.24 16.76 17.99 35.45 91.94 50.43 -64.35 -43.06 0.62 0.01 99.37 0.08 0.04 0.38 99.39 0.10 0.00 0.00 0.00 50 I H H 22.74 21.15 15.76 36.18 92.07 49.76 -64.57 -40.40 1.06 0.01 98.93 0.19 0.09 0.62 98.84 0.25 0.00 0.00 0.00 51 R H H 151.79 3.28 19.33 23.37 92.89 48.62 -67.99 -37.32 3.51 0.02 96.47 0.41 0.22 2.63 96.16 0.56 0.00 0.01 0.00 52 E H H 120.51 2.72 19.48 22.12 97.53 39.23 -80.79 -37.32 7.58 0.03 92.39 0.56 0.62 6.09 92.14 0.55 0.01 0.01 0.01 53 V H H 43.86 13.36 14.81 28.50 101.82 31.40 -98.40 -22.32 23.72 0.33 75.95 4.17 6.10 13.89 74.66 0.80 0.07 0.09 0.21 54 G C C 23.99 10.12 17.75 28.66 122.13 -135.43 83.85 -170.46 90.96 1.09 7.94 68.63 6.14 16.52 2.64 4.95 0.00 0.70 0.42 55 R C T 128.18 10.53 16.30 26.88 97.01 -56.50 -73.64 -13.61 85.20 4.34 10.46 15.27 23.16 47.18 2.14 8.00 0.03 2.68 1.54 56 N C T 106.79 4.02 20.06 24.55 101.03 40.71 -94.24 13.36 86.77 6.69 6.55 20.68 22.10 44.37 0.71 5.87 0.00 5.42 0.84 57 G C S 17.19 12.62 16.25 29.57 128.37 107.75 -94.68 170.49 78.33 21.26 0.42 38.08 38.19 2.07 0.05 0.38 0.00 20.57 0.66 58 V E E 64.27 10.13 21.55 32.03 120.10 -111.43 -108.74 132.10 11.98 88.00 0.02 11.09 0.57 0.04 0.01 0.01 0.00 88.06 0.22 59 I E E 14.46 21.84 16.31 38.04 123.46 -166.68 -117.94 135.86 0.53 99.47 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.47 0.02 60 E E E 88.87 7.82 24.30 32.47 115.21 -144.46 -99.19 126.44 0.26 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 61 L E E 11.00 22.68 14.11 36.76 124.87 -173.09 -120.40 140.97 1.01 98.98 0.00 0.87 0.05 0.00 0.00 0.00 0.00 99.06 0.01 62 G E E 29.49 6.72 20.71 28.28 117.47 -147.49 -102.74 133.07 4.92 95.05 0.02 4.07 0.38 0.04 0.00 0.01 0.00 95.44 0.06 63 V E E 30.47 17.50 11.09 28.08 115.10 -176.46 -127.66 107.07 11.19 88.66 0.16 6.99 3.46 0.97 0.03 0.13 0.00 87.68 0.73 64 G C T 56.21 2.31 14.36 17.32 103.60 -42.20 61.42 -106.64 98.95 0.58 0.47 1.04 9.95 87.96 0.02 0.51 0.00 0.46 0.07 65 S C T 105.17 0.47 12.96 11.94 96.16 -24.17 -86.42 1.60 99.34 0.26 0.40 1.32 10.64 87.32 0.02 0.47 0.00 0.21 0.03 66 K E E 120.94 3.30 12.67 17.94 123.76 92.28 -108.07 144.45 13.76 86.18 0.05 9.11 4.36 0.47 0.01 0.05 0.00 85.64 0.36 67 T E E 86.42 6.47 13.49 22.01 117.78 -138.50 -99.69 131.11 6.14 93.85 0.00 5.23 0.26 0.01 0.00 0.00 0.00 94.44 0.04 68 I E E 34.16 15.02 14.43 30.48 127.20 -173.89 -125.63 141.54 1.18 98.82 0.00 1.02 0.03 0.00 0.00 0.00 0.00 98.94 0.01 69 K E E 106.80 6.69 23.42 30.58 114.23 -127.54 -86.16 130.38 0.59 99.41 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.47 0.00 70 V E E 4.36 24.49 15.84 40.94 134.34 176.44 -136.52 154.17 0.48 99.52 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.56 0.01 71 M E E 43.56 10.21 26.26 37.80 117.74 -129.97 -103.12 130.80 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.01 72 V E E 6.60 24.41 16.24 41.58 109.91 -123.43 -76.04 124.62 1.68 98.31 0.00 1.61 0.05 0.00 0.00 0.00 0.00 98.31 0.02 73 A E E 44.40 8.33 22.49 31.67 101.53 175.54 -98.24 -31.57 5.50 94.48 0.01 3.62 1.54 0.13 0.00 0.01 0.00 94.66 0.03 74 D E E 62.80 6.01 24.80 31.48 141.51 -0.76 -154.81 154.41 1.92 98.07 0.01 1.48 0.23 0.02 0.00 0.00 0.00 98.24 0.02 75 Y E E 57.47 21.28 13.79 33.91 129.00 -162.28 -132.87 139.44 1.10 98.90 0.00 1.01 0.04 0.00 0.00 0.00 0.00 98.92 0.02 76 Q E E 66.57 8.49 21.23 30.57 127.72 -172.32 -129.09 140.50 1.06 98.94 0.00 0.81 0.11 0.01 0.00 0.00 0.00 99.05 0.02 77 F E E 89.60 11.66 14.84 27.27 120.85 -152.15 -110.68 134.44 2.23 97.76 0.00 1.97 0.18 0.01 0.00 0.00 0.00 97.47 0.38 78 D C C 39.26 9.58 11.51 23.42 108.31 -128.66 -86.59 114.77 72.62 27.37 0.02 72.01 0.51 0.05 0.00 0.01 0.00 26.97 0.44 79 P C T 94.87 3.98 11.88 17.84 93.27 -156.00 -65.57 -26.19 99.51 0.08 0.41 0.29 4.86 94.40 0.01 0.37 0.00 0.05 0.02 80 L C T 133.25 1.11 12.49 13.32 96.53 48.23 -75.42 -38.07 99.39 0.15 0.45 0.28 5.15 94.03 0.01 0.41 0.00 0.08 0.05 81 K C T 123.13 2.54 12.14 15.49 100.51 24.83 -102.33 -8.29 99.36 0.20 0.45 1.82 8.15 89.37 0.01 0.48 0.00 0.12 0.04 82 N C T 101.63 6.13 12.85 20.96 95.03 -129.93 57.41 36.18 99.32 0.41 0.27 32.65 12.40 54.30 0.05 0.22 0.00 0.33 0.07 83 Q C E 72.94 7.03 19.29 27.45 132.85 117.69 -129.22 154.44 51.67 48.26 0.06 37.83 13.80 0.50 0.01 0.07 0.00 45.36 2.43 84 I E E 20.56 21.41 14.73 36.27 109.58 -110.27 -76.35 126.01 1.36 98.63 0.00 1.32 0.05 0.00 0.00 0.00 0.00 98.30 0.32 85 T E E 47.57 9.28 22.30 32.52 101.35 175.72 -100.37 -28.80 1.74 98.25 0.00 1.14 0.36 0.02 0.00 0.00 0.00 98.46 0.01 86 H E E 54.11 10.30 24.44 35.56 140.30 2.40 -154.59 149.10 0.41 99.59 0.00 0.31 0.03 0.00 0.00 0.00 0.00 99.66 0.00 87 I E E 7.76 24.91 16.90 42.11 125.53 -166.11 -130.02 133.05 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 88 D E E 34.83 10.28 26.65 37.82 121.09 -164.96 -114.08 132.94 0.25 99.75 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 89 F E E 9.95 24.67 17.48 42.37 125.59 -166.37 -121.51 137.31 0.23 99.76 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 90 L E E 45.49 10.77 25.08 36.38 124.61 -167.30 -122.29 135.43 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 91 A E E 28.72 16.06 17.73 33.96 114.76 -129.56 -85.21 132.33 1.38 98.62 0.00 1.32 0.03 0.00 0.00 0.00 0.00 98.58 0.06 92 I E E 46.32 14.03 13.95 28.70 115.18 -154.05 -99.73 127.17 37.65 62.33 0.02 37.56 0.29 0.04 0.00 0.01 0.00 61.43 0.66 93 N C C 114.67 3.48 18.16 22.33 104.21 -119.42 -75.07 83.97 99.72 0.28 0.00 99.61 0.15 0.02 0.00 0.00 0.00 0.21 0.01