# 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 H C C 83.92 10.94 16.45 27.79 124.58 -173.63 -115.20 139.61 99.18 0.81 0.00 99.13 0.15 0.02 0.00 0.00 0.00 0.68 0.02 1 R E E 117.22 8.54 17.12 26.71 122.76 -158.09 -114.05 136.97 28.28 71.70 0.02 27.80 0.55 0.06 0.00 0.01 0.00 70.73 0.83 2 I E E 24.85 19.15 13.64 32.90 121.99 -161.27 -116.28 132.64 5.19 94.81 0.00 5.02 0.16 0.01 0.00 0.00 0.00 94.68 0.13 3 R E E 109.75 7.31 22.29 30.33 118.27 -154.96 -107.07 127.39 1.74 98.26 0.00 1.71 0.03 0.00 0.00 0.00 0.00 98.23 0.02 4 I E E 11.21 23.23 15.57 39.08 121.19 -167.67 -115.68 129.17 0.79 99.21 0.00 0.84 0.01 0.00 0.00 0.00 0.00 99.14 0.01 5 T E E 48.62 8.81 25.76 35.18 118.67 -160.94 -110.97 126.63 0.66 99.34 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.32 0.01 6 L E E 5.95 25.06 16.86 42.42 123.82 -170.41 -116.65 136.02 1.52 98.47 0.00 1.55 0.02 0.00 0.00 0.00 0.00 98.39 0.03 7 T E E 50.06 9.48 26.01 35.84 126.80 -168.85 -121.86 141.55 5.07 94.92 0.01 4.83 0.17 0.01 0.00 0.00 0.00 94.82 0.17 8 S E E 11.22 20.38 14.58 35.01 138.68 161.45 -148.80 159.50 27.33 72.63 0.04 26.59 0.90 0.06 0.01 0.02 0.00 70.99 1.41 9 R C S 148.18 4.95 20.56 26.36 94.66 -136.18 -82.85 -14.31 99.30 0.67 0.03 2.92 95.94 0.65 0.00 0.01 0.00 0.42 0.05 10 N C C 70.95 7.29 18.80 27.14 110.67 67.26 -107.94 106.92 98.99 0.86 0.14 63.91 34.73 0.52 0.08 0.05 0.00 0.31 0.42 11 V H H 60.04 14.37 14.04 28.73 93.62 -168.57 -63.25 -36.65 3.18 0.01 96.81 0.72 0.53 1.70 95.97 1.07 0.00 0.00 0.00 12 K H H 138.03 1.67 21.68 22.26 91.65 54.81 -63.55 -40.79 2.04 0.01 97.95 0.20 0.18 1.52 96.60 1.49 0.00 0.00 0.00 13 S H H 28.48 9.24 18.76 29.54 91.88 48.89 -65.43 -40.28 1.35 0.01 98.64 0.24 0.10 0.88 96.92 1.86 0.00 0.00 0.00 14 L H H 5.75 24.39 14.36 38.89 91.55 52.11 -63.52 -42.54 0.37 0.00 99.63 0.08 0.03 0.18 99.47 0.24 0.00 0.00 0.00 15 E H H 89.53 9.67 22.20 31.83 91.46 51.69 -63.33 -41.31 0.11 0.00 99.89 0.02 0.00 0.06 99.90 0.02 0.00 0.00 0.00 16 K H H 121.36 2.30 25.72 26.93 91.60 49.96 -64.41 -41.84 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 17 V H H 13.32 18.64 21.18 39.76 91.60 48.72 -64.11 -43.39 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 18 C H H 6.71 22.88 20.08 42.66 91.51 50.26 -63.77 -42.44 0.09 0.00 99.91 0.01 0.00 0.06 99.93 0.01 0.00 0.00 0.00 19 A H H 47.35 5.31 24.78 30.29 91.16 51.14 -63.23 -41.87 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 20 D H H 57.56 7.10 24.71 32.27 91.67 50.01 -64.99 -41.45 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 21 L H H 5.19 24.30 19.81 43.88 91.87 50.08 -63.95 -43.45 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 22 I H H 37.83 15.74 21.75 37.06 91.66 49.64 -63.31 -42.88 0.16 0.00 99.84 0.01 0.01 0.11 99.86 0.02 0.00 0.00 0.00 23 R H H 132.33 2.09 25.60 26.02 91.75 49.51 -63.93 -41.60 0.36 0.00 99.64 0.03 0.01 0.24 99.68 0.04 0.00 0.00 0.00 24 G H H 11.02 10.57 19.09 31.60 91.84 50.49 -64.03 -41.81 0.95 0.00 99.04 0.06 0.04 0.69 99.07 0.12 0.00 0.00 0.00 25 A H H 6.52 20.19 13.31 33.96 91.49 51.22 -63.58 -41.51 1.37 0.00 98.63 0.19 0.10 0.90 98.41 0.40 0.00 0.00 0.00 26 K H H 131.64 3.53 17.84 22.53 91.60 50.45 -64.08 -40.42 1.92 0.01 98.07 0.17 0.10 1.46 97.41 0.85 0.00 0.00 0.00 27 E H H 140.08 1.50 16.85 17.95 90.94 52.67 -65.87 -30.38 7.50 0.01 92.49 0.23 0.28 6.95 91.87 0.65 0.01 0.00 0.00 28 K C T 90.78 8.63 12.63 22.68 95.54 46.11 -95.27 7.20 81.80 0.04 18.17 0.46 1.76 78.66 18.33 0.73 0.00 0.01 0.04 29 N C T 138.03 0.87 18.37 17.63 93.23 -116.50 59.69 38.70 99.83 0.01 0.16 1.82 1.17 96.92 0.06 0.03 0.00 0.00 0.00 30 L C C 28.23 19.66 8.45 26.98 119.33 155.03 -96.17 140.37 98.40 1.57 0.02 97.44 1.05 0.06 0.00 0.01 0.00 1.35 0.09 31 K E E 141.56 2.08 23.04 24.26 110.34 -126.52 -84.79 125.29 44.86 55.09 0.05 43.84 0.84 0.08 0.01 0.03 0.00 54.50 0.69 32 V E E 33.69 21.85 9.58 29.84 120.61 -166.45 -110.25 131.40 8.53 91.44 0.03 8.70 0.22 0.02 0.02 0.01 0.00 87.50 3.53 33 K E E 130.75 3.40 19.61 23.49 110.81 -171.25 -106.68 83.89 20.67 79.29 0.04 17.49 2.55 0.18 0.01 0.03 0.00 78.96 0.78 34 G E E 32.54 4.49 19.96 25.04 131.83 -40.29 115.69 -175.43 46.21 53.78 0.01 18.45 26.86 0.43 0.00 0.02 0.00 54.00 0.25 35 P C C 62.40 13.60 14.61 28.19 115.78 -52.12 -70.91 143.87 55.01 44.96 0.02 49.19 3.65 0.12 0.00 0.02 0.00 46.54 0.47 36 V E E 45.96 13.01 15.89 29.98 121.80 -160.21 -116.44 131.88 15.39 84.59 0.03 14.45 0.71 0.03 0.01 0.01 0.00 78.20 6.57 37 R E E 145.65 5.38 19.53 26.46 115.29 -129.23 -83.52 132.77 27.90 72.08 0.02 27.67 0.64 0.03 0.01 0.01 0.00 66.55 5.10 38 M C C 41.24 19.32 10.94 29.37 119.16 -138.76 -88.24 144.00 86.93 13.06 0.01 85.77 1.69 0.04 0.00 0.01 0.00 12.02 0.46 39 P C C 66.22 5.80 18.21 24.85 115.23 -101.81 -66.15 151.82 92.55 7.39 0.06 87.05 5.04 0.29 0.01 0.05 0.00 7.10 0.45 40 T C C 82.81 9.26 13.16 23.37 109.80 -127.49 -86.14 130.93 71.20 28.63 0.16 54.37 15.25 0.68 0.03 0.17 0.00 28.40 1.10 41 K E E 108.51 6.31 15.09 22.88 122.56 -142.38 -111.40 142.34 18.46 81.43 0.11 15.08 2.92 0.27 0.02 0.09 0.00 81.16 0.46 42 T E E 74.91 8.26 13.77 23.49 120.48 -149.48 -111.40 134.14 3.21 96.77 0.03 2.97 0.18 0.02 0.01 0.01 0.00 96.70 0.10 43 L E E 60.70 11.01 12.89 25.21 121.73 -162.90 -114.51 136.02 1.05 98.94 0.00 0.97 0.05 0.00 0.00 0.00 0.00 98.95 0.03 44 R E E 140.47 4.98 16.37 22.99 118.83 -155.41 -110.13 131.05 0.71 99.29 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.33 0.01 45 I E E 53.30 13.07 12.02 26.04 121.69 -168.54 -116.55 133.88 1.37 98.62 0.01 1.27 0.04 0.00 0.00 0.00 0.00 98.64 0.03 46 T E E 67.53 5.72 16.64 23.74 121.79 -160.29 -110.58 140.79 4.54 95.42 0.04 4.19 0.22 0.04 0.01 0.01 0.00 95.42 0.11 47 T E E 55.40 11.96 11.87 24.53 121.07 -158.06 -109.95 140.07 10.74 89.15 0.12 9.31 1.27 0.21 0.03 0.07 0.00 88.61 0.50 48 R E E 134.38 5.07 14.31 20.90 117.97 -139.99 -96.47 138.61 20.40 79.43 0.17 17.04 3.41 0.47 0.05 0.12 0.00 77.74 1.16 49 K C C 135.20 4.16 13.10 19.08 115.58 -127.74 -91.35 134.72 53.19 46.64 0.17 44.92 7.12 0.52 0.06 0.15 0.00 44.08 3.15 50 T C C 48.73 9.72 8.60 19.63 115.83 -124.31 -86.28 142.19 92.17 7.65 0.18 85.40 5.92 0.72 0.05 0.14 0.00 6.53 1.23 51 P C T 110.37 1.82 12.51 15.02 93.17 -129.26 -67.45 -18.27 96.81 1.24 1.95 10.91 30.78 54.99 0.18 1.94 0.00 0.87 0.33 52 C C T 85.91 3.71 9.61 14.68 99.35 58.54 -92.97 -1.70 95.12 1.99 2.89 7.91 32.83 54.38 0.30 2.68 0.00 1.16 0.74 53 G C S 42.26 3.52 10.32 15.47 119.24 -85.62 114.56 168.53 89.43 4.56 6.00 28.79 45.00 15.18 0.81 5.43 0.00 2.16 2.63 54 E C T 156.30 1.34 10.05 12.35 107.92 -51.25 -72.42 123.37 90.88 1.77 7.35 6.81 16.80 66.57 0.70 7.23 0.00 1.15 0.74 55 G C T 64.57 0.85 11.54 12.04 97.61 10.03 81.36 -0.18 91.58 1.28 7.13 9.05 17.48 64.37 0.70 7.07 0.00 0.83 0.51 56 S C C 59.07 4.79 8.74 15.55 119.20 121.20 -90.46 147.43 89.46 6.17 4.37 57.45 25.90 6.10 0.77 4.03 0.00 3.84 1.91 57 K C C 141.81 3.40 11.94 17.07 113.24 -129.21 -90.34 129.89 77.95 20.60 1.46 64.39 9.79 2.87 0.31 1.25 0.00 19.40 1.98 58 T E E 66.43 7.38 11.66 20.69 125.73 -170.19 -118.20 147.94 40.02 59.65 0.33 35.17 3.61 0.66 0.09 0.26 0.00 58.43 1.78 59 W E E 118.95 9.02 11.75 22.16 120.05 -142.23 -105.18 137.60 15.37 84.56 0.07 13.96 0.96 0.16 0.02 0.05 0.00 84.04 0.80 60 D E E 76.50 6.67 14.47 22.59 120.98 -163.57 -110.57 138.84 10.73 89.24 0.03 8.89 1.16 0.11 0.00 0.02 0.00 89.67 0.15 61 R E E 129.58 6.75 14.39 22.68 121.17 -128.53 -113.86 136.17 5.84 94.15 0.01 5.26 0.30 0.02 0.00 0.00 0.00 94.34 0.09 62 F E E 60.47 12.28 12.64 26.17 126.61 -170.93 -122.85 144.17 2.81 97.19 0.00 2.65 0.05 0.00 0.00 0.00 0.00 97.24 0.05 63 Q E E 97.49 6.25 16.96 24.65 120.45 -148.78 -109.57 135.38 1.54 98.46 0.00 1.40 0.04 0.00 0.00 0.00 0.00 98.53 0.03 64 M E E 53.05 14.25 13.49 28.31 127.89 -168.65 -127.42 144.85 2.11 97.89 0.00 1.93 0.05 0.00 0.00 0.00 0.00 97.99 0.02 65 R E E 109.82 7.40 18.26 26.74 117.46 -136.73 -102.51 130.95 1.69 98.31 0.00 1.55 0.04 0.00 0.00 0.00 0.00 98.37 0.03 66 I E E 45.85 14.52 15.51 30.76 119.92 -162.22 -110.87 128.10 2.92 97.08 0.00 2.71 0.10 0.00 0.00 0.00 0.00 97.12 0.06 67 H E E 54.29 11.73 17.99 30.89 120.86 -162.88 -109.55 135.72 4.94 95.05 0.00 4.49 0.23 0.01 0.00 0.00 0.00 95.17 0.09 68 K E E 83.66 12.53 18.82 31.41 126.41 -167.33 -122.35 140.02 7.44 92.56 0.01 6.84 0.36 0.02 0.00 0.00 0.00 92.68 0.10 69 R E E 52.52 15.81 18.04 33.93 124.67 -168.91 -120.65 138.91 4.18 95.81 0.00 3.95 0.15 0.01 0.00 0.00 0.00 95.83 0.07 70 L E E 49.37 11.63 22.13 34.43 118.59 -152.73 -108.90 129.05 1.05 98.95 0.00 0.95 0.04 0.00 0.00 0.00 0.00 98.99 0.02 71 I E E 10.54 22.38 17.77 40.41 120.18 -165.47 -114.95 127.30 0.29 99.71 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.73 0.00 72 D E E 54.27 8.91 25.47 34.86 115.40 -156.84 -104.87 123.15 0.62 99.37 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.40 0.01 73 L E E 12.38 22.72 14.27 37.07 117.69 -163.03 -104.99 128.62 10.02 89.90 0.08 9.55 0.37 0.06 0.03 0.04 0.00 89.56 0.39 74 H C E 99.83 6.67 20.91 27.97 108.69 -167.20 -93.92 2.77 56.53 43.32 0.15 27.57 28.32 1.67 0.02 0.13 0.00 41.57 0.72 75 S C S 49.45 7.61 18.54 27.08 121.39 20.54 -136.10 126.27 91.50 8.31 0.19 20.27 68.85 2.05 0.04 0.12 0.00 8.26 0.41 76 P C C 50.31 13.98 14.09 28.21 104.21 -136.04 -69.46 89.51 91.85 1.53 6.62 79.86 7.12 4.98 5.00 1.57 0.00 1.03 0.44 77 S C H 57.46 7.44 16.18 24.53 97.91 125.33 -72.38 -38.37 56.56 0.53 42.91 35.91 10.86 8.81 41.25 2.69 0.00 0.20 0.28 78 E H H 119.37 3.14 19.08 22.21 93.41 47.09 -66.59 -35.13 20.95 0.27 78.78 8.80 4.57 8.15 75.73 2.48 0.03 0.11 0.13 79 I H H 28.88 16.24 15.96 32.25 93.21 51.83 -65.88 -41.79 8.75 0.26 90.99 4.17 1.39 3.56 88.33 2.29 0.02 0.16 0.08 80 V H H 23.56 18.55 15.36 33.56 92.08 51.34 -63.59 -42.18 2.82 0.11 97.07 1.24 0.42 1.24 95.40 1.58 0.01 0.10 0.02 81 K H H 118.47 3.30 20.72 24.16 91.70 51.63 -64.20 -40.28 2.04 0.08 97.88 0.66 0.26 1.12 95.93 1.95 0.01 0.07 0.01 82 Q H H 84.71 6.45 19.76 26.90 92.12 50.42 -65.89 -39.75 2.86 0.09 97.05 0.68 0.32 1.81 94.23 2.84 0.01 0.09 0.01 83 I H H 12.87 22.71 14.53 36.69 92.59 49.92 -66.30 -38.34 4.55 0.16 95.28 0.84 0.50 3.09 91.83 3.54 0.02 0.13 0.03 84 T H H 55.06 13.51 16.78 30.10 92.38 57.00 -70.99 -22.32 20.36 0.38 79.26 2.01 1.77 16.14 76.52 3.09 0.11 0.23 0.13 85 S C T 83.39 1.87 20.12 21.31 95.44 56.53 -88.95 -7.03 57.90 0.98 41.12 6.64 4.52 44.41 39.23 4.17 0.08 0.54 0.41 86 I C C 46.31 16.60 10.20 26.55 117.64 104.84 -79.91 138.35 91.28 6.35 2.36 57.50 31.18 3.16 1.90 0.67 0.00 3.98 1.60 87 S C C 82.64 2.60 20.67 23.60 112.74 -137.92 -96.37 124.92 83.20 16.13 0.67 79.84 2.37 1.14 0.34 0.26 0.00 13.59 2.46 88 I C C 40.10 20.80 10.40 29.74 123.14 -169.64 -116.24 133.38 58.84 41.00 0.16 56.45 2.51 0.10 0.13 0.05 0.00 14.78 25.97 89 E C C 105.25 4.64 19.57 24.64 117.44 -122.50 -77.26 148.74 99.20 0.78 0.01 98.79 0.60 0.04 0.00 0.00 0.00 0.44 0.12 90 P C T 90.13 6.10 15.55 23.14 111.11 -84.39 -60.50 138.64 99.22 0.46 0.32 0.77 3.28 95.34 0.02 0.20 0.00 0.30 0.08 91 G C T 42.91 5.07 18.14 24.36 96.22 23.56 87.07 -5.67 98.98 0.78 0.24 1.20 3.35 94.56 0.01 0.19 0.00 0.65 0.05 92 V C C 29.57 17.36 12.36 30.09 120.26 117.19 -97.27 135.70 63.50 36.43 0.07 57.08 4.95 0.25 0.01 0.07 0.00 36.81 0.82 93 E E E 106.63 5.71 21.67 28.35 119.85 -154.65 -108.92 132.69 14.42 85.55 0.03 14.09 0.31 0.04 0.01 0.02 0.00 85.25 0.28 94 V E E 25.71 21.44 12.96 33.89 126.80 -172.18 -127.03 139.22 6.83 93.16 0.01 6.76 0.10 0.01 0.00 0.00 0.00 93.06 0.07 95 E E E 102.87 5.00 23.64 29.18 120.08 -159.27 -111.38 131.93 3.92 96.08 0.00 3.92 0.07 0.01 0.00 0.00 0.00 95.96 0.04 96 V E E 26.01 21.73 12.67 33.85 123.82 -168.79 -120.11 133.18 5.48 94.52 0.00 5.61 0.06 0.00 0.00 0.00 0.00 94.26 0.07 97 T E E 67.86 5.23 21.41 27.27 121.61 -167.96 -116.65 134.05 6.82 93.17 0.01 6.75 0.13 0.01 0.00 0.00 0.00 92.92 0.18 98 I E E 63.19 14.78 11.60 26.44 116.74 -149.28 -101.08 128.02 20.00 79.95 0.05 20.45 0.20 0.04 0.02 0.02 0.00 78.48 0.80 99 A C C 56.03 7.07 16.43 24.51 113.07 -153.34 -90.04 135.45 99.33 0.67 0.00 99.34 0.07 0.01 0.00 0.00 0.00 0.57 0.01