# 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 120.41 5.50 12.14 19.21 114.03 -159.18 -92.16 130.01 99.81 0.17 0.02 99.75 0.09 0.04 0.01 0.00 0.00 0.08 0.02 1 G C C 46.74 5.19 9.92 16.91 118.27 -158.33 -91.96 158.86 93.14 4.48 2.38 88.40 1.25 4.21 0.85 0.93 0.00 2.90 1.46 2 K C C 160.47 1.80 10.79 13.95 111.67 -112.12 -92.28 129.62 86.84 8.43 4.73 56.19 17.88 12.93 1.43 3.36 0.00 5.82 2.40 3 G C C 47.08 4.83 9.89 16.48 121.11 -154.53 -124.65 169.28 85.53 9.00 5.47 55.94 19.39 10.38 1.67 3.88 0.00 6.18 2.56 4 T C C 85.82 6.35 10.49 18.45 116.42 -114.11 -98.63 138.62 82.50 10.92 6.58 64.92 11.51 5.80 2.97 3.64 0.00 7.66 3.48 5 K C C 139.37 3.57 12.37 17.77 115.15 -139.27 -94.99 133.38 80.99 10.88 8.13 53.99 19.80 7.51 4.45 3.63 0.03 7.78 2.83 6 K C C 137.28 4.62 11.62 18.25 112.44 -126.42 -86.09 126.53 78.01 12.99 9.00 52.24 17.52 8.20 5.28 3.86 0.03 9.08 3.79 7 V C C 86.69 6.30 10.98 18.91 116.72 -171.06 -111.45 134.70 79.20 11.71 9.09 54.20 18.06 6.38 6.98 2.72 0.02 6.91 4.73 8 G C C 38.94 4.26 15.07 20.28 123.27 -0.93 86.03 -166.69 66.27 5.18 28.55 28.78 24.06 14.52 20.99 6.79 0.14 2.72 1.99 9 I H H 102.77 5.88 14.25 21.30 94.39 -36.62 -67.17 -31.84 44.98 2.52 52.50 8.33 9.84 26.47 33.65 18.34 0.68 1.40 1.31 10 A H H 44.96 10.29 12.61 23.76 94.11 55.68 -69.39 -30.26 39.04 2.29 58.67 6.70 6.92 23.53 35.53 24.24 0.64 1.34 1.10 11 G H H 34.90 7.38 14.10 22.77 96.18 59.74 -65.98 -36.20 35.59 3.28 61.12 11.24 7.20 16.67 31.96 29.58 0.20 2.00 1.15 12 S H H 76.06 3.54 16.11 20.35 95.83 51.95 -77.67 -20.80 48.09 3.62 48.29 12.30 10.16 24.94 26.33 22.11 0.45 2.15 1.56 13 F C C 101.00 8.73 12.81 22.45 101.25 52.24 -93.81 -1.16 59.42 6.96 33.62 23.44 14.89 22.41 18.43 13.39 0.50 3.43 3.51 14 G C C 34.80 7.38 13.23 21.78 118.26 115.89 19.79 173.82 80.93 6.31 12.76 51.02 16.07 13.75 5.73 6.94 0.01 3.30 3.17 15 A C C 78.52 4.62 11.95 18.02 100.06 -66.22 -76.51 -7.35 71.23 6.25 22.52 28.04 19.08 25.78 6.96 14.22 0.08 3.47 2.36 16 R C T 178.39 1.49 13.79 15.34 96.55 67.58 -79.70 -11.77 71.04 5.94 23.03 24.57 20.69 27.79 7.77 13.51 0.10 3.36 2.21 17 Y C C 113.56 7.58 10.44 19.16 105.61 56.86 -96.80 15.01 71.43 7.10 21.47 28.44 27.32 16.96 10.71 9.50 0.15 3.35 3.58 18 G C C 30.80 4.44 14.79 20.57 122.46 -103.12 92.56 169.39 86.50 3.54 9.96 70.01 10.41 5.32 8.62 2.11 0.00 1.73 1.80 19 S H H 74.43 3.77 12.37 17.63 93.14 -93.73 -62.76 -35.07 8.49 0.08 91.43 3.57 2.14 2.70 90.73 0.80 0.00 0.03 0.03 20 T H H 93.43 1.33 15.96 16.29 92.25 53.19 -65.12 -39.68 3.31 0.04 96.65 0.92 0.48 1.80 96.06 0.71 0.01 0.02 0.01 21 L H H 59.97 7.36 14.22 23.28 92.27 49.32 -66.18 -40.72 1.12 0.02 98.86 0.38 0.13 0.57 98.34 0.57 0.00 0.01 0.00 22 R H H 76.27 11.34 13.45 25.67 91.62 52.08 -63.29 -41.49 0.42 0.00 99.58 0.13 0.04 0.19 99.48 0.16 0.00 0.00 0.00 23 K H H 123.18 2.19 18.96 20.69 91.73 50.59 -64.24 -40.52 0.33 0.00 99.67 0.08 0.02 0.17 99.66 0.08 0.00 0.00 0.00 24 R H H 129.75 2.89 19.04 21.89 91.71 49.63 -65.09 -40.70 0.31 0.00 99.69 0.06 0.02 0.17 99.70 0.06 0.00 0.00 0.00 25 M H H 43.92 12.93 15.64 29.38 92.15 50.44 -64.58 -41.80 0.26 0.00 99.74 0.04 0.02 0.14 99.76 0.04 0.00 0.00 0.00 26 K H H 94.27 7.64 18.59 26.92 91.98 51.87 -63.33 -41.19 0.34 0.00 99.66 0.05 0.02 0.19 99.69 0.05 0.00 0.00 0.00 27 A H H 55.82 2.83 19.77 22.21 91.72 50.57 -63.87 -41.15 0.68 0.00 99.32 0.10 0.04 0.41 99.37 0.08 0.00 0.00 0.00 28 V H H 51.47 7.67 17.22 26.26 92.13 49.27 -64.80 -41.83 1.11 0.01 98.88 0.22 0.10 0.62 98.91 0.15 0.00 0.00 0.00 29 L H H 52.18 10.84 15.57 27.43 92.26 50.58 -64.64 -41.05 1.76 0.02 98.21 0.50 0.16 0.92 98.01 0.40 0.00 0.01 0.00 30 E H H 103.51 3.76 17.58 21.88 92.39 50.40 -66.31 -38.03 3.80 0.05 96.15 0.86 0.37 2.35 95.52 0.85 0.01 0.02 0.01 31 T H H 73.56 4.12 16.29 21.18 94.28 49.29 -72.87 -29.78 9.85 0.11 90.05 2.10 1.06 6.45 88.91 1.37 0.02 0.05 0.05 32 Q H H 81.28 10.67 13.04 24.27 94.97 66.17 -68.46 -28.01 24.38 0.27 75.35 3.79 3.01 17.71 72.80 2.37 0.06 0.11 0.14 33 R H H 147.91 4.61 15.83 21.39 97.61 54.08 -86.45 -3.50 41.40 0.82 57.78 7.55 6.02 28.38 54.21 2.97 0.10 0.38 0.40 34 A C C 51.15 7.82 13.65 23.03 113.43 103.25 -79.81 140.49 69.66 3.86 26.48 42.45 12.73 13.91 22.84 4.50 0.03 2.21 1.32 35 K C C 126.98 5.37 16.91 23.54 114.42 -127.27 -91.98 128.25 72.55 17.40 10.05 51.34 12.02 8.65 6.76 3.61 0.03 14.67 2.92 36 Y E E 56.28 15.12 13.00 28.54 126.76 -161.33 -122.61 142.00 39.75 55.60 4.65 28.96 8.48 3.71 3.02 2.19 0.05 48.78 4.81 37 I E B 94.20 5.34 20.00 26.20 119.70 -144.62 -108.73 131.49 14.52 85.07 0.42 12.38 1.03 0.13 0.44 0.09 0.00 41.76 44.18 38 C C C 13.35 19.07 9.61 29.00 109.81 -119.95 -72.88 125.17 92.22 7.74 0.05 92.77 0.52 0.08 0.01 0.02 0.00 5.59 1.03 39 E C T 134.37 2.62 17.64 20.95 92.78 -148.95 -70.65 -26.23 99.48 0.20 0.32 0.78 6.76 92.00 0.02 0.26 0.00 0.12 0.05 40 A C T 60.40 7.08 14.86 22.92 98.60 46.97 -80.05 -40.37 99.61 0.08 0.31 0.11 3.21 96.40 0.00 0.22 0.00 0.03 0.02 41 C C T 60.89 6.61 13.27 21.50 102.52 19.65 -108.04 -14.05 99.66 0.08 0.27 0.25 3.60 95.87 0.00 0.22 0.00 0.03 0.02 42 G C C 50.30 3.03 14.52 18.75 95.04 -120.72 79.28 6.76 99.00 0.80 0.20 76.36 15.95 6.64 0.04 0.17 0.00 0.42 0.41 43 K C C 95.32 6.00 13.29 21.28 119.48 139.66 -80.42 146.33 93.31 6.58 0.11 79.08 14.35 0.45 0.03 0.09 0.00 4.26 1.73 44 K E E 130.70 5.52 16.69 23.78 109.80 -120.49 -84.57 120.87 15.61 84.20 0.19 12.68 1.71 0.16 0.14 0.08 0.00 47.69 37.53 45 T E E 41.05 11.71 17.46 29.82 132.41 151.79 -133.15 157.46 48.86 51.09 0.05 44.39 3.05 0.15 0.01 0.04 0.00 51.84 0.51 46 V E E 26.50 19.46 15.08 34.25 124.56 -130.57 -116.58 137.07 22.39 77.55 0.06 21.18 1.05 0.10 0.02 0.04 0.00 75.64 1.97 47 K E E 103.23 6.37 22.62 29.71 124.62 -163.24 -121.24 138.53 10.88 89.09 0.03 10.42 0.38 0.03 0.01 0.01 0.00 88.57 0.58 48 R E E 88.20 15.67 12.77 28.10 110.57 -121.92 -79.80 124.13 11.87 88.08 0.05 11.20 0.47 0.06 0.01 0.03 0.00 86.79 1.44 49 E E E 114.75 4.31 18.50 23.90 101.01 175.25 -100.57 -24.11 39.12 60.74 0.14 29.89 7.92 0.59 0.02 0.11 0.00 60.95 0.51 50 A E E 44.98 4.81 19.87 25.30 140.31 -6.46 -155.76 165.20 44.09 55.39 0.52 9.05 27.27 9.75 0.05 0.53 0.00 51.67 1.69 51 V C T 80.03 9.10 18.77 28.31 109.14 -64.56 -63.94 130.67 98.76 0.84 0.39 2.09 21.55 75.20 0.02 0.41 0.00 0.60 0.14 52 G C T 13.35 15.66 18.46 34.20 96.33 14.32 86.49 -3.32 98.45 1.35 0.20 2.25 20.63 75.53 0.00 0.24 0.00 1.27 0.07 53 I E E 33.00 12.24 20.59 34.48 122.00 104.08 -112.81 131.49 7.44 92.56 0.00 6.52 0.50 0.01 0.00 0.00 0.00 92.78 0.19 54 W E E 20.91 19.51 18.11 37.99 128.52 -173.38 -124.17 145.70 0.32 99.68 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.68 0.01 55 K E E 74.61 8.86 24.12 33.54 121.28 -150.64 -115.83 133.98 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.80 0.02 56 C E E 7.75 19.82 12.34 33.36 109.53 -123.88 -77.68 123.57 10.42 89.57 0.00 10.30 0.18 0.01 0.00 0.00 0.00 89.15 0.36 57 R C T 129.88 5.06 19.04 25.25 94.09 -155.89 -68.95 -30.30 97.48 0.30 2.23 0.38 3.06 93.87 0.03 2.42 0.00 0.19 0.05 58 S C T 63.23 5.66 16.54 23.22 98.18 46.86 -76.69 -39.94 97.32 0.06 2.62 0.13 1.73 95.34 0.02 2.74 0.00 0.03 0.01 59 C C T 55.41 7.56 13.84 22.98 101.25 21.35 -106.59 -10.57 98.13 0.06 1.81 0.32 2.12 95.51 0.03 1.98 0.00 0.03 0.02 60 R C C 167.90 3.31 15.81 20.68 93.95 -126.17 64.45 25.27 98.92 0.75 0.33 47.27 5.12 46.60 0.07 0.22 0.00 0.61 0.11 61 R C C 104.13 7.13 14.92 23.85 119.84 142.64 -84.61 146.32 52.61 47.37 0.02 50.76 1.25 0.06 0.00 0.01 0.00 47.33 0.60 62 V E E 82.29 8.92 17.67 27.71 120.22 -135.96 -103.51 134.26 0.47 99.53 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.10 0.40 63 F E E 48.61 16.83 14.87 31.61 128.17 -172.64 -124.19 145.91 1.27 98.73 0.00 1.23 0.03 0.00 0.00 0.00 0.00 98.62 0.12 64 A E E 58.34 8.17 20.50 29.17 118.90 -136.17 -97.08 142.19 31.91 68.01 0.08 25.13 5.15 0.63 0.01 0.07 0.00 68.66 0.34 65 G C C 25.89 9.75 19.79 30.29 134.40 59.56 138.86 -175.69 67.72 31.89 0.39 41.30 22.32 4.16 0.05 0.43 0.00 30.42 1.32 66 G C C 24.33 11.77 19.00 30.76 129.41 -91.08 -94.69 170.29 78.89 19.73 1.38 55.51 16.96 6.64 0.26 1.44 0.00 15.33 3.86 67 S C S 47.83 14.57 16.46 30.40 95.19 -89.12 -72.40 -20.90 88.37 8.10 3.53 18.37 40.90 29.62 0.46 3.14 0.01 5.45 2.05 68 Y C S 131.24 8.36 19.28 27.43 99.69 40.74 -94.73 -7.50 86.53 9.13 4.34 16.05 41.26 29.84 0.71 3.47 0.02 5.66 2.99 69 A C C 48.24 8.77 18.90 28.40 118.50 62.64 -114.92 128.68 84.24 11.60 4.16 47.39 25.98 11.16 0.96 3.38 0.01 5.98 5.14 70 K C C 90.34 14.31 14.53 28.37 101.99 -157.35 -77.96 2.25 91.13 5.91 2.96 45.33 22.82 23.59 0.73 2.12 0.00 3.28 2.12 71 T C C 84.78 6.32 18.02 25.04 104.33 77.12 -98.52 49.52 94.58 2.85 2.57 49.28 25.87 19.54 0.66 1.90 0.00 1.34 1.41 72 T C S 40.33 11.03 13.49 25.79 126.52 134.02 -103.16 159.42 96.47 1.32 2.21 42.25 53.31 0.78 2.13 0.24 0.00 0.26 1.03 73 P H H 95.95 2.51 19.55 21.94 91.36 -107.83 -58.82 -37.06 7.00 0.04 92.96 1.16 1.47 4.26 92.06 1.00 0.02 0.01 0.02 74 A H H 37.11 10.13 18.09 29.17 92.03 52.79 -64.68 -39.25 4.71 0.02 95.26 0.71 0.48 3.27 94.40 1.12 0.01 0.01 0.01 75 G H H 5.62 19.20 14.37 34.00 91.74 51.39 -64.27 -40.72 2.10 0.02 97.88 0.68 0.24 1.07 96.99 0.99 0.00 0.01 0.00 76 K H H 106.15 5.35 20.94 26.85 91.68 52.25 -63.84 -41.04 0.69 0.01 99.30 0.24 0.07 0.29 99.17 0.23 0.00 0.00 0.00 77 I H H 88.20 3.47 22.25 25.25 91.82 49.44 -64.52 -42.46 0.45 0.01 99.54 0.11 0.04 0.22 99.54 0.09 0.00 0.00 0.00 78 F H H 43.62 14.70 18.64 33.56 92.29 48.89 -65.04 -42.75 0.34 0.00 99.66 0.07 0.02 0.16 99.68 0.05 0.00 0.00 0.00 79 I H H 49.60 13.42 18.04 31.66 91.87 50.14 -63.43 -42.23 0.24 0.00 99.75 0.05 0.01 0.11 99.79 0.03 0.00 0.00 0.00 80 N H H 84.21 2.55 21.31 22.98 91.59 50.27 -64.15 -41.32 0.35 0.00 99.65 0.07 0.02 0.18 99.69 0.04 0.00 0.00 0.00 81 M H H 75.87 5.37 18.91 25.12 91.87 49.74 -65.16 -41.76 0.33 0.00 99.67 0.05 0.02 0.19 99.70 0.05 0.00 0.00 0.00 82 V H H 30.67 12.67 14.95 28.83 91.84 49.82 -64.59 -42.01 0.44 0.00 99.56 0.07 0.03 0.26 99.55 0.09 0.00 0.00 0.00 83 K H H 101.94 4.00 16.72 21.61 91.54 50.74 -63.84 -40.47 1.21 0.00 98.79 0.18 0.07 0.78 98.77 0.20 0.00 0.00 0.00 84 Q H H 106.45 1.71 15.64 16.88 92.18 50.57 -65.56 -39.41 3.81 0.01 96.18 0.46 0.27 2.74 96.00 0.51 0.00 0.00 0.00 85 Y H H 112.38 5.44 12.04 19.02 93.15 50.51 -68.39 -35.74 9.49 0.04 90.47 1.38 0.92 6.72 89.96 0.97 0.01 0.02 0.02 86 N H H 99.45 4.38 10.45 16.33 94.58 54.00 -73.59 -24.84 28.81 0.22 70.97 5.16 3.50 19.82 69.96 1.34 0.03 0.08 0.13 87 T C H 103.67 1.57 10.07 12.42 99.00 56.10 -83.35 -9.46 59.02 0.38 40.61 27.01 1.99 27.59 41.68 1.36 0.00 0.14 0.23 88 K C C 147.26 2.44 10.60 14.56 104.54 83.36 -80.83 38.47 99.92 0.03 0.05 99.79 0.08 0.08 0.03 0.00 0.00 0.01 0.00