# 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 101.58 8.88 14.75 24.44 114.11 -157.34 -90.01 130.20 99.90 0.10 0.00 99.89 0.05 0.00 0.00 0.00 0.00 0.05 0.00 1 R C C 109.73 9.07 15.64 25.66 119.93 -152.57 -102.56 134.63 76.74 23.23 0.03 77.08 0.46 0.09 0.00 0.01 0.00 21.12 1.22 2 P C C 57.18 10.51 17.97 29.16 117.58 -126.15 -79.57 142.02 57.64 42.32 0.05 52.05 3.63 0.22 0.01 0.04 0.00 43.47 0.58 3 Y E E 24.78 19.80 16.72 36.51 129.95 -168.32 -126.68 148.24 10.16 89.81 0.02 9.48 0.50 0.03 0.01 0.01 0.00 89.54 0.43 4 E E E 46.99 13.58 24.42 38.11 121.88 -146.63 -110.97 134.81 3.79 96.20 0.01 3.49 0.20 0.01 0.00 0.00 0.00 96.25 0.05 5 I E E 6.93 23.82 21.11 44.92 124.95 -166.25 -120.00 135.06 1.93 98.06 0.00 1.86 0.05 0.00 0.00 0.00 0.00 98.06 0.02 6 M E E 22.28 18.09 26.39 44.01 120.87 -162.15 -113.62 129.91 0.81 99.19 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.22 0.01 7 V E E 3.40 25.09 24.71 49.51 121.94 -165.48 -117.58 129.03 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 8 I E E 12.90 20.22 27.85 47.48 115.94 -158.52 -105.98 123.60 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.01 9 L E E 5.09 24.53 20.98 45.42 127.65 -175.42 -118.36 147.62 4.19 95.81 0.00 4.11 0.09 0.00 0.00 0.00 0.00 95.46 0.33 10 D C C 32.82 12.95 22.62 36.18 110.08 -109.16 -72.23 129.38 93.10 6.89 0.01 93.37 0.47 0.02 0.00 0.00 0.00 5.95 0.18 11 P C T 49.73 14.82 16.07 31.47 91.38 -134.50 -64.54 -19.94 97.95 0.36 1.69 1.12 5.47 91.51 0.06 1.52 0.00 0.24 0.07 12 T C T 103.65 1.83 21.04 22.37 92.39 62.41 -86.51 -2.32 98.48 0.19 1.33 1.34 4.93 92.28 0.06 1.22 0.00 0.12 0.04 13 L C S 27.36 19.25 8.54 26.89 117.38 111.70 -74.19 142.96 98.08 0.91 1.01 43.86 53.21 1.01 0.37 0.49 0.00 0.26 0.80 14 D C C 91.17 2.12 20.43 21.23 117.34 -114.81 -78.23 156.19 99.20 0.24 0.55 98.48 0.64 0.20 0.40 0.05 0.00 0.06 0.18 15 E H H 117.83 9.12 12.06 22.36 91.56 -109.91 -59.26 -36.56 11.63 0.02 88.34 0.69 1.08 9.77 80.04 8.35 0.03 0.01 0.02 16 R H H 176.79 1.04 17.57 17.44 92.20 54.82 -66.44 -34.96 10.45 0.02 89.53 0.39 0.63 9.60 80.49 8.84 0.03 0.01 0.01 17 T H H 59.56 7.50 16.90 25.41 95.61 43.12 -78.26 -33.34 11.53 0.04 88.44 0.61 0.86 9.97 78.30 10.15 0.06 0.02 0.02 18 V H H 8.92 22.38 12.81 34.88 94.02 49.17 -71.85 -37.78 8.83 0.04 91.13 0.97 1.32 6.49 89.62 1.53 0.03 0.01 0.02 19 A H H 44.21 8.73 19.34 28.97 91.87 60.33 -61.02 -43.58 3.68 0.01 96.30 0.84 0.32 2.23 93.74 2.86 0.00 0.01 0.00 20 P H H 73.06 2.32 23.84 24.55 91.55 49.53 -63.72 -40.45 2.43 0.01 97.56 0.39 0.15 1.66 94.70 3.08 0.00 0.00 0.00 21 S H H 16.62 16.28 19.93 36.22 92.22 50.11 -65.24 -41.57 1.17 0.01 98.82 0.24 0.09 0.70 96.32 2.63 0.00 0.00 0.00 22 L H H 11.66 22.97 18.65 41.13 91.40 51.43 -63.37 -42.49 0.22 0.00 99.77 0.04 0.01 0.11 99.66 0.17 0.00 0.00 0.00 23 E H H 106.63 4.79 24.11 29.38 91.36 51.67 -63.18 -40.94 0.07 0.00 99.93 0.01 0.00 0.03 99.93 0.03 0.00 0.00 0.00 24 T H H 62.38 5.97 24.19 30.31 91.71 49.69 -64.49 -42.27 0.05 0.00 99.95 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 25 F H H 6.74 24.30 20.05 44.00 91.58 49.16 -64.11 -43.35 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 26 L H H 23.84 18.54 20.54 38.64 91.03 51.15 -62.63 -41.75 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 27 N H H 83.20 2.67 25.36 26.82 91.61 51.76 -64.16 -40.75 0.44 0.00 99.56 0.02 0.01 0.34 99.59 0.03 0.00 0.00 0.00 28 V H H 22.02 12.67 20.60 34.43 91.67 50.44 -64.16 -43.35 0.51 0.00 99.49 0.03 0.03 0.39 99.48 0.07 0.00 0.00 0.00 29 I H H 3.13 25.79 14.40 40.74 91.36 49.27 -63.86 -42.98 0.87 0.02 99.11 0.09 0.07 0.65 98.93 0.24 0.00 0.01 0.00 30 R H H 127.84 8.00 18.49 27.48 91.62 50.82 -63.16 -40.60 1.80 0.01 98.19 0.20 0.10 1.38 97.48 0.82 0.00 0.01 0.00 31 K H H 155.27 1.38 19.93 20.48 90.90 53.94 -65.88 -26.61 10.78 0.02 89.20 0.22 0.30 10.86 87.75 0.84 0.02 0.01 0.01 32 D C T 56.59 11.93 14.49 27.25 94.48 50.76 -92.77 3.21 82.73 0.03 17.25 0.25 1.05 81.39 16.61 0.68 0.00 0.01 0.02 33 G C T 47.20 3.01 21.96 24.82 99.84 -96.47 93.42 7.94 99.77 0.02 0.21 0.94 1.52 97.40 0.08 0.03 0.00 0.01 0.00 34 G C C 8.92 21.62 10.23 30.77 125.21 129.65 -86.78 165.40 92.64 7.33 0.03 89.23 2.90 0.14 0.00 0.02 0.00 7.51 0.19 35 T E E 69.69 4.32 25.31 29.91 126.93 -143.47 -126.68 146.00 28.68 71.29 0.03 27.19 0.89 0.05 0.01 0.02 0.00 71.32 0.51 36 V E E 41.19 21.13 12.18 32.21 112.22 -129.12 -88.79 121.62 3.06 96.93 0.01 3.16 0.07 0.01 0.00 0.00 0.00 96.65 0.11 37 D E E 85.91 4.08 19.57 24.51 100.07 177.53 -92.18 -33.80 4.75 95.23 0.02 3.16 1.14 0.08 0.00 0.02 0.00 95.58 0.02 38 K E E 102.83 3.95 22.25 26.96 138.78 -0.96 -153.84 150.23 1.62 98.36 0.01 1.18 0.19 0.02 0.00 0.01 0.00 98.58 0.01 39 V E E 46.70 20.75 11.44 30.78 124.35 -162.60 -130.23 128.34 1.06 98.94 0.01 0.90 0.05 0.00 0.00 0.00 0.00 99.03 0.01 40 D E E 72.10 5.16 21.88 27.48 120.00 -172.52 -121.20 127.96 2.02 97.98 0.00 1.67 0.11 0.01 0.00 0.00 0.00 98.19 0.02 41 I E E 75.01 13.07 14.12 27.59 115.68 -145.40 -100.03 122.61 4.77 95.21 0.01 4.23 0.20 0.02 0.00 0.01 0.00 95.50 0.04 42 W E E 115.28 8.74 14.79 24.76 106.46 -173.67 -105.63 4.31 11.31 88.46 0.22 9.55 0.96 0.23 0.08 0.09 0.00 88.91 0.17 43 G E E 31.97 4.09 18.63 23.51 132.28 -100.24 116.09 -167.75 9.33 90.45 0.22 5.39 3.52 0.64 0.06 0.13 0.00 90.08 0.18 44 R E E 145.53 6.34 14.63 22.72 117.88 -45.73 -90.13 133.95 5.34 94.36 0.30 4.30 0.69 0.17 0.13 0.10 0.00 94.48 0.11 45 R E E 97.60 9.49 13.86 24.87 128.91 -175.89 -133.77 146.54 3.21 96.45 0.34 2.71 0.29 0.12 0.17 0.10 0.00 96.48 0.12 46 R E E 159.03 3.05 16.97 21.29 114.12 -117.15 -82.25 132.51 4.64 95.05 0.31 4.15 0.31 0.10 0.20 0.08 0.00 94.95 0.22 47 L E E 45.21 16.64 8.25 24.04 112.80 -125.30 -80.57 132.32 36.59 62.47 0.93 34.25 1.36 0.34 0.43 0.31 0.00 62.79 0.52 48 A C E 79.15 2.58 15.63 18.91 95.88 -147.31 -76.20 -21.77 60.38 38.72 0.90 24.87 31.77 3.89 0.17 0.60 0.00 38.10 0.59 49 Y C E 125.14 3.90 14.58 19.71 129.90 37.88 -131.51 152.83 52.52 46.64 0.84 11.07 38.42 3.79 0.15 0.54 0.00 45.23 0.81 50 E E E 125.89 4.24 13.19 19.12 110.66 -106.52 -78.44 127.10 44.41 53.95 1.64 39.63 3.06 0.96 0.84 0.83 0.00 51.19 3.47 51 I C C 64.47 11.34 8.69 20.54 116.57 -172.72 -109.22 123.84 57.22 37.89 4.89 46.04 6.08 3.47 2.42 2.69 0.02 30.30 8.96 52 A C T 84.77 2.37 13.37 16.37 99.13 -17.35 -15.06 14.99 84.55 4.71 10.73 20.07 26.93 38.49 1.86 8.20 0.01 3.48 0.96 53 K C T 160.25 1.59 14.18 15.80 99.90 -17.00 -80.59 7.87 86.39 3.72 9.88 16.90 28.34 41.74 1.35 8.20 0.01 2.71 0.75 54 H C E 106.58 7.18 13.36 21.70 113.62 33.89 -104.93 109.48 53.71 41.56 4.73 32.71 10.56 12.17 0.82 3.75 0.01 37.81 2.16 55 A E E 30.70 12.46 13.67 27.37 118.68 -168.87 -105.50 139.43 36.89 62.84 0.27 30.36 4.63 0.96 0.06 0.20 0.00 62.98 0.81 56 E E E 79.87 9.44 21.40 31.14 128.47 -163.56 -124.69 144.85 15.81 84.07 0.12 12.36 2.95 0.52 0.03 0.09 0.00 83.64 0.41 57 G E E 6.99 17.26 18.79 36.25 142.78 153.85 -162.95 174.03 7.06 92.91 0.03 5.61 1.07 0.10 0.00 0.02 0.00 93.10 0.09 58 I E E 23.48 16.04 21.85 38.70 124.92 -99.96 -120.77 139.88 1.06 98.94 0.00 0.98 0.04 0.00 0.00 0.00 0.00 98.95 0.02 59 Y E E 37.64 16.44 22.27 38.73 121.06 -155.10 -109.38 133.32 0.30 99.70 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 60 A E E 7.35 20.29 20.49 41.13 125.73 -168.84 -121.74 139.01 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 61 V E E 29.19 13.26 24.37 38.42 118.98 -158.33 -111.96 126.12 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 62 I E E 11.41 21.74 19.50 41.44 121.68 -168.99 -116.05 130.87 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 63 D E E 48.00 10.09 25.65 36.28 115.79 -158.74 -105.78 123.15 0.33 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 64 V E E 9.03 23.46 16.35 39.92 126.04 -173.90 -123.33 139.41 0.49 99.50 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.51 0.02 65 K E E 95.86 7.09 25.53 33.21 118.51 -161.33 -113.65 125.97 3.66 96.32 0.02 2.97 0.49 0.04 0.01 0.01 0.00 96.35 0.13 66 A E E 13.90 19.34 14.32 33.69 138.87 147.66 -148.93 165.06 32.45 67.48 0.06 26.15 6.00 0.23 0.02 0.04 0.00 66.79 0.78 67 E C C 99.00 4.55 21.16 25.69 113.25 -88.40 -69.59 142.35 98.60 1.32 0.08 97.38 1.25 0.08 0.04 0.02 0.00 1.17 0.06 68 P H H 75.54 9.41 13.97 24.51 92.45 -111.87 -57.64 -35.65 23.08 0.16 76.76 2.61 2.37 16.51 61.97 16.32 0.04 0.11 0.07 69 A H H 74.88 1.97 19.64 20.81 91.14 58.24 -66.12 -28.46 19.56 0.15 80.30 2.13 1.82 13.90 64.21 17.75 0.05 0.09 0.06 70 T H H 33.37 12.84 15.99 29.54 95.09 49.19 -79.68 -27.00 13.15 0.29 86.56 3.93 1.79 6.72 68.92 18.34 0.03 0.19 0.08 71 V H H 19.55 20.50 13.90 33.87 92.05 65.70 -61.91 -43.48 2.79 0.04 97.17 1.32 0.38 1.10 95.45 1.71 0.00 0.02 0.01 72 S H H 63.14 2.94 22.14 24.48 91.72 51.77 -63.80 -40.78 1.79 0.03 98.18 0.62 0.19 0.93 97.08 1.16 0.00 0.02 0.00 73 E H H 90.23 4.33 21.26 25.73 91.87 49.71 -65.08 -40.81 1.52 0.02 98.46 0.41 0.15 0.87 97.52 1.03 0.00 0.01 0.00 74 L H H 8.50 22.41 14.65 37.25 92.08 50.82 -64.45 -42.27 1.47 0.02 98.51 0.38 0.15 0.84 97.66 0.95 0.00 0.01 0.00 75 D H H 57.59 12.93 18.07 30.85 91.68 52.84 -62.54 -40.95 3.33 0.02 96.65 0.64 0.27 2.19 95.59 1.29 0.00 0.01 0.01 76 R H H 157.95 1.42 20.68 20.62 92.05 49.95 -65.04 -38.87 7.88 0.03 92.09 0.74 0.52 6.25 90.60 1.85 0.01 0.02 0.01 77 Q H H 76.20 9.34 17.54 27.53 92.56 49.21 -68.95 -36.43 12.90 0.06 87.04 1.32 1.03 10.08 85.85 1.64 0.02 0.03 0.03 78 L H H 22.07 20.70 12.21 32.06 95.57 53.43 -76.83 -20.30 42.94 1.62 55.44 10.98 6.96 25.57 52.21 2.67 0.12 0.74 0.75 79 N C T 99.99 5.15 18.55 24.40 98.74 76.03 -65.04 21.33 74.04 1.78 24.18 26.54 4.96 40.46 23.64 2.75 0.01 0.96 0.69 80 L C C 86.04 9.62 12.87 23.21 102.17 98.04 -81.14 19.62 79.26 3.79 16.95 49.36 15.44 13.61 14.74 3.26 0.01 1.84 1.73 81 N C C 85.35 5.96 14.76 22.00 112.97 120.07 -99.37 113.82 84.09 3.32 12.60 63.00 12.08 8.44 9.23 3.93 0.00 1.76 1.55 82 E C T 121.24 7.13 13.42 21.70 95.79 -138.14 -68.59 -16.51 59.82 2.29 37.89 13.64 12.32 34.25 16.00 21.34 0.08 1.43 0.94 83 S C T 68.62 5.16 15.75 21.92 96.55 67.82 -76.90 -13.07 59.73 4.63 35.64 14.86 10.22 34.81 14.72 20.62 0.09 3.53 1.16 84 V C C 47.19 14.25 13.32 27.59 106.31 63.47 -91.75 15.28 43.63 23.99 32.38 20.71 10.63 14.83 14.69 16.06 0.53 19.26 3.29 85 L E E 62.15 13.84 14.07 28.10 115.86 129.23 -98.75 127.94 41.98 45.60 12.42 30.09 7.53 4.28 9.79 3.64 0.17 40.45 4.07 86 R E E 125.09 7.44 17.53 26.05 117.52 -156.91 -107.12 128.63 41.88 50.84 7.27 34.85 3.64 2.12 5.28 1.99 0.01 50.40 1.71 87 T E E 54.97 14.56 13.23 27.71 123.47 -168.28 -114.61 139.10 44.43 49.99 5.57 37.42 3.69 1.71 3.57 1.55 0.00 51.09 0.97 88 K E E 110.82 6.71 17.95 25.92 120.81 -157.53 -110.34 135.18 38.77 56.48 4.74 32.44 3.52 1.70 2.83 1.38 0.00 57.31 0.83 89 V E E 62.92 13.59 13.52 27.47 119.61 -154.41 -108.19 129.62 28.89 68.51 2.59 26.10 1.69 0.70 1.99 0.69 0.00 67.39 1.44 90 L E E 79.86 7.74 15.33 24.58 121.34 -166.88 -113.24 136.36 29.02 69.07 1.91 26.17 2.03 0.69 1.69 0.60 0.00 65.48 3.35 91 R C C 133.73 6.67 12.97 21.34 115.23 -135.66 -92.81 130.19 54.48 43.45 2.07 48.68 3.42 1.11 1.29 0.79 0.00 42.97 1.74 92 T C C 75.77 7.71 10.15 19.17 108.49 -141.97 -82.90 108.51 81.50 11.93 6.57 49.24 18.35 13.90 2.21 4.12 0.00 11.14 1.03 93 D C C 107.71 2.83 10.62 14.95 109.74 -124.97 -88.30 108.89 90.23 4.03 5.73 50.56 21.32 18.57 1.55 4.20 0.00 3.01 0.79 94 K C C 141.58 3.42 8.94 14.22 107.86 -144.67 -90.13 88.20 93.77 2.30 3.93 83.10 3.77 7.37 1.24 2.24 0.00 1.61 0.67 95 H C C 136.41 3.74 10.28 15.75 109.96 83.72 -91.42 110.19 99.93 0.05 0.02 99.79 0.09 0.08 0.01 0.00 0.00 0.03 0.01