# 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 109.81 6.52 16.25 23.91 113.02 44.04 -100.61 122.18 99.63 0.37 0.00 99.68 0.04 0.01 0.00 0.00 0.00 0.26 0.01 1 F E E 67.69 13.95 12.38 26.70 122.63 -166.87 -114.29 138.40 47.29 52.60 0.11 46.59 0.62 0.18 0.03 0.06 0.00 51.92 0.59 2 T E E 77.48 5.50 19.19 25.85 120.19 -157.38 -111.53 131.93 22.40 77.50 0.11 20.86 0.92 0.15 0.03 0.06 0.00 77.47 0.51 3 I E E 20.73 22.01 12.03 33.54 121.72 -166.57 -115.57 132.67 14.87 85.01 0.12 13.90 0.61 0.11 0.04 0.05 0.00 84.96 0.32 4 N E E 89.00 4.28 24.66 28.99 116.50 -154.28 -103.25 128.50 13.86 85.99 0.16 12.04 1.00 0.20 0.04 0.08 0.00 86.47 0.17 5 A E E 17.55 23.12 11.63 33.68 132.54 -170.39 -134.26 150.32 13.89 85.78 0.33 12.67 0.78 0.13 0.19 0.09 0.00 85.92 0.22 6 E E E 96.04 5.54 24.32 30.35 125.91 -159.15 -123.88 140.41 6.87 92.86 0.26 6.37 0.36 0.09 0.15 0.08 0.00 92.60 0.35 7 V E E 58.93 15.01 16.67 31.36 114.82 -119.66 -81.78 134.90 13.13 86.38 0.49 12.73 0.49 0.14 0.30 0.16 0.00 85.25 0.94 8 R C C 42.39 17.76 11.53 29.15 113.09 -119.84 -75.57 138.79 69.27 25.29 5.44 65.78 2.33 1.12 2.34 2.41 0.00 24.78 1.23 9 K C C 160.59 1.58 18.23 19.52 96.58 -150.24 -76.86 -25.14 65.45 6.13 28.42 31.70 20.94 14.58 10.57 16.26 0.03 4.83 1.09 10 E C C 123.15 3.49 16.05 20.53 119.64 42.69 -109.49 139.47 62.42 5.16 32.42 24.45 19.61 20.22 11.36 19.38 0.08 3.39 1.52 11 Q C C 94.48 10.47 11.80 22.72 110.19 -132.19 -91.45 124.49 68.46 3.27 28.27 34.10 17.57 17.67 11.00 16.43 0.03 1.69 1.51 12 G C C 36.70 6.70 14.16 22.14 121.63 51.16 105.67 -174.53 84.55 1.34 14.12 40.18 27.30 17.45 8.52 5.13 0.00 0.52 0.89 13 K C S 148.13 2.91 15.07 19.15 104.32 -66.55 -82.48 -9.62 67.78 0.72 31.50 16.13 31.51 20.44 27.35 3.78 0.03 0.23 0.52 14 G H H 42.64 3.00 17.59 20.61 102.19 22.47 -20.17 -73.78 40.35 0.45 59.20 9.77 15.95 16.30 54.00 3.47 0.08 0.15 0.29 15 A H H 33.22 10.77 16.19 28.00 93.37 40.86 -65.91 -38.95 14.57 0.25 85.17 5.20 3.10 7.08 80.87 3.45 0.05 0.13 0.12 16 S H H 16.25 18.14 13.97 31.92 92.53 53.54 -64.37 -40.70 9.41 0.27 90.32 4.50 1.52 3.91 87.05 2.73 0.03 0.17 0.09 17 R H H 126.99 3.85 20.41 24.55 92.28 52.12 -64.49 -40.89 4.49 0.17 95.35 2.17 0.78 1.90 93.24 1.74 0.02 0.11 0.04 18 R H H 128.65 2.87 20.93 23.32 92.00 49.95 -64.63 -41.52 3.22 0.21 96.57 1.58 0.59 1.37 95.21 1.06 0.01 0.13 0.05 19 L H H 17.18 18.14 13.90 32.34 92.16 49.78 -64.89 -42.00 2.76 0.27 96.97 1.21 0.42 1.33 95.46 1.31 0.02 0.21 0.05 20 R H H 102.30 12.15 15.86 27.99 91.90 51.78 -63.25 -40.42 2.88 0.12 97.00 0.74 0.30 1.76 95.58 1.48 0.01 0.10 0.02 21 A H H 86.82 1.33 18.23 18.62 91.15 53.28 -66.96 -26.92 10.56 0.08 89.36 0.78 0.65 9.04 88.14 1.27 0.04 0.04 0.03 22 A C T 56.96 5.86 15.58 22.77 94.47 55.45 -86.48 -2.46 88.99 0.03 10.99 0.34 1.43 86.65 11.02 0.54 0.00 0.01 0.02 23 N C T 99.63 7.07 17.82 26.11 93.85 -115.29 63.69 33.25 99.88 0.02 0.11 0.69 1.52 97.73 0.03 0.02 0.00 0.01 0.00 24 K C C 64.32 13.03 19.29 32.47 132.77 121.59 -123.30 155.98 55.98 44.01 0.02 52.01 2.50 0.07 0.00 0.01 0.00 44.74 0.66 25 F E E 20.15 21.06 20.80 41.58 117.70 -128.93 -103.35 127.56 5.41 94.59 0.00 5.23 0.15 0.00 0.00 0.00 0.00 94.45 0.17 26 P E E 20.61 17.18 25.16 42.21 115.79 -121.92 -71.01 143.36 2.60 97.39 0.00 2.54 0.05 0.00 0.00 0.00 0.00 97.36 0.04 27 A E E 4.15 24.17 20.91 44.74 136.41 -174.17 -140.69 156.28 0.67 99.33 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.36 0.01 28 I E E 33.97 14.48 25.72 40.51 117.71 -134.69 -107.43 128.04 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.01 29 I E E 13.40 21.36 19.40 40.82 118.16 -161.32 -108.26 126.74 0.93 99.06 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.11 0.02 30 Y E E 79.93 11.17 19.77 31.52 123.60 -168.78 -118.56 137.90 12.25 87.72 0.03 10.59 1.00 0.09 0.01 0.02 0.00 88.02 0.28 31 G C C 32.62 10.14 15.11 25.82 117.80 142.62 -127.64 144.29 77.21 22.61 0.18 58.07 16.20 1.79 0.02 0.20 0.00 22.88 0.84 32 G C S 46.88 3.79 13.96 19.04 116.24 -67.90 75.88 -146.47 96.69 1.78 1.52 11.34 60.03 25.33 0.09 1.61 0.00 1.22 0.38 33 K C S 179.03 0.70 13.28 13.00 98.20 -25.50 -86.42 -2.69 97.66 0.63 1.71 6.58 64.09 27.03 0.10 1.63 0.00 0.35 0.22 34 E C S 113.91 3.96 11.55 17.45 123.28 85.94 -100.68 152.03 93.86 4.52 1.61 13.36 72.76 8.11 0.16 1.38 0.00 3.01 1.22 35 A C C 75.65 2.77 16.69 19.99 115.48 -88.17 -69.51 147.80 90.10 9.61 0.29 66.47 22.39 1.27 0.06 0.26 0.00 8.68 0.89 36 P C C 56.97 15.05 12.42 27.20 115.40 -100.67 -65.71 145.74 82.19 17.71 0.10 78.23 2.89 0.34 0.02 0.08 0.00 17.97 0.47 37 L E E 43.77 13.29 19.11 33.19 122.99 -154.07 -116.18 135.67 7.90 92.07 0.03 6.73 1.13 0.07 0.01 0.01 0.00 91.55 0.51 38 A E E 38.98 13.45 21.76 35.07 118.52 -131.85 -89.87 138.56 1.56 98.44 0.00 1.37 0.08 0.00 0.00 0.00 0.00 98.53 0.02 39 I E E 8.91 22.76 19.00 41.91 125.98 -168.87 -122.18 137.58 0.66 99.34 0.00 0.63 0.01 0.00 0.00 0.00 0.00 99.35 0.01 40 E E E 62.43 12.91 25.19 38.09 122.22 -154.34 -112.90 131.96 0.39 99.61 0.00 0.35 0.02 0.00 0.00 0.00 0.00 99.62 0.01 41 L E E 7.78 23.43 17.28 40.83 129.70 -173.34 -127.92 144.73 4.01 95.98 0.00 3.89 0.13 0.00 0.00 0.00 0.00 95.84 0.14 42 D C C 57.86 6.93 24.79 32.26 109.67 -113.78 -74.51 128.74 53.43 46.56 0.02 53.18 0.48 0.02 0.00 0.01 0.00 45.96 0.35 43 H H H 47.65 19.02 14.52 33.22 92.39 -136.28 -60.32 -37.30 1.26 0.00 98.74 0.17 0.11 0.76 98.58 0.37 0.00 0.00 0.00 44 D H H 99.55 2.08 22.39 23.80 91.41 55.12 -63.89 -39.53 0.40 0.00 99.60 0.03 0.02 0.28 99.32 0.34 0.00 0.00 0.00 45 K H H 81.29 8.52 20.54 29.56 92.07 49.24 -66.18 -40.65 0.20 0.00 99.80 0.02 0.01 0.13 99.43 0.41 0.00 0.00 0.00 46 V H H 2.68 25.88 14.31 40.67 91.65 50.08 -64.22 -43.39 0.29 0.00 99.70 0.03 0.02 0.18 99.61 0.17 0.00 0.00 0.00 47 M H H 67.45 10.69 19.97 31.07 91.29 51.25 -63.04 -41.31 0.61 0.00 99.39 0.09 0.03 0.36 99.32 0.20 0.00 0.00 0.00 48 N H H 92.67 2.03 22.98 23.37 91.99 50.56 -65.06 -39.59 1.85 0.00 98.14 0.17 0.09 1.41 97.75 0.57 0.00 0.00 0.00 49 M H H 29.33 15.53 16.26 32.32 92.18 51.75 -66.37 -38.30 3.23 0.01 96.76 0.24 0.17 2.60 95.71 1.27 0.00 0.00 0.00 50 Q H H 48.30 17.76 14.48 31.57 91.80 56.72 -69.10 -24.34 11.48 0.02 88.49 0.66 0.57 9.86 87.65 1.24 0.01 0.01 0.01 51 A H H 79.27 2.92 18.04 21.28 93.13 57.84 -80.66 -11.69 45.20 0.09 54.71 2.52 3.49 37.68 54.62 1.57 0.02 0.03 0.06 52 K C S 96.75 6.41 12.73 21.01 112.64 90.40 -88.06 121.95 93.76 0.48 5.77 44.60 44.87 4.09 4.72 1.11 0.00 0.12 0.48 53 A H G 77.50 4.60 12.89 19.51 92.77 -148.80 -61.47 -31.60 43.69 0.28 56.03 5.90 5.69 30.76 6.69 50.68 0.00 0.15 0.13 54 E H G 126.33 3.15 16.40 20.50 91.15 63.29 -68.35 -18.75 43.59 0.34 56.07 4.96 4.77 32.45 6.70 50.79 0.00 0.20 0.14 55 F H G 32.55 17.67 12.17 29.71 96.16 55.29 -85.46 -13.44 36.97 2.36 60.67 15.49 7.02 15.23 6.86 53.22 0.00 1.64 0.54 56 Y C T 80.73 14.94 14.80 29.37 96.19 80.38 -71.23 -18.81 67.02 11.72 21.25 22.09 13.06 33.29 5.44 15.04 0.10 8.08 2.90 57 S C T 72.05 4.44 20.31 25.13 98.49 43.49 -93.57 2.85 69.67 17.03 13.31 21.70 13.46 35.43 1.94 10.88 0.01 15.44 1.13 58 E C C 66.85 11.80 16.91 29.40 121.29 109.18 -87.72 147.34 66.69 31.68 1.63 44.59 19.57 2.44 0.38 1.13 0.00 31.15 0.75 59 V E E 62.83 10.59 20.65 31.75 115.77 -123.07 -93.43 128.90 16.97 82.94 0.09 15.70 0.76 0.09 0.03 0.04 0.00 83.11 0.27 60 L E E 8.78 22.77 16.18 39.18 125.24 -168.98 -117.83 140.65 1.09 98.90 0.01 1.06 0.03 0.00 0.00 0.00 0.00 98.86 0.03 61 T E E 40.37 9.28 25.20 35.48 116.87 -145.85 -104.57 127.63 0.28 99.72 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 62 I E E 5.63 24.19 15.55 40.45 121.97 -167.39 -114.19 132.84 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 63 V E E 45.26 7.93 22.29 31.67 116.73 -154.45 -108.04 124.98 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 64 V E E 18.36 19.42 11.45 30.60 119.04 -176.39 -128.02 119.09 2.33 97.65 0.02 1.54 0.47 0.10 0.00 0.01 0.00 97.75 0.11 65 D C T 109.20 3.65 14.59 19.87 92.99 -15.66 53.11 43.86 99.57 0.30 0.13 0.24 2.75 96.68 0.00 0.11 0.00 0.20 0.02 66 G C T 65.12 0.85 13.75 14.00 94.45 -51.01 80.41 2.72 99.82 0.10 0.08 0.26 2.85 96.74 0.00 0.07 0.00 0.07 0.01 67 K E E 120.39 2.96 14.06 18.82 124.33 106.25 -112.01 143.20 4.23 95.75 0.01 2.76 1.08 0.09 0.00 0.01 0.00 95.94 0.13 68 E E E 119.46 6.67 13.74 22.42 115.03 -126.67 -88.33 129.78 1.75 98.24 0.00 1.45 0.06 0.00 0.00 0.00 0.00 98.47 0.01 69 I E E 37.95 14.32 14.66 30.06 127.67 -175.10 -127.85 142.65 0.84 99.16 0.00 0.74 0.02 0.00 0.00 0.00 0.00 99.23 0.00 70 K E E 112.00 6.42 22.94 30.00 114.62 -126.22 -86.92 130.86 0.52 99.47 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.00 71 V E E 5.34 24.04 15.46 39.97 133.82 174.32 -137.03 154.32 0.53 99.47 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.49 0.00 72 K E E 66.80 8.97 26.57 36.56 117.42 -127.77 -100.24 132.72 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 73 A E E 4.75 24.92 15.20 40.97 110.62 -119.48 -73.89 127.46 1.52 98.48 0.00 1.56 0.04 0.00 0.00 0.00 0.00 98.38 0.02 74 Q E E 79.03 7.26 23.20 31.15 100.72 176.38 -96.49 -32.19 3.85 96.14 0.01 2.69 0.98 0.07 0.00 0.01 0.00 96.23 0.03 75 D E E 55.45 6.70 25.02 32.60 142.31 -2.66 -158.06 155.89 1.50 98.50 0.00 1.27 0.12 0.01 0.00 0.00 0.00 98.58 0.01 76 V E E 25.91 22.18 14.53 36.07 126.10 -156.39 -128.85 133.95 0.89 99.11 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.09 0.02 77 Q E E 64.66 8.71 21.87 31.23 124.20 -170.18 -122.03 139.72 1.50 98.50 0.00 1.26 0.08 0.00 0.00 0.00 0.00 98.61 0.04 78 R E E 99.96 11.90 14.86 27.34 121.83 -152.33 -109.21 135.67 9.24 90.75 0.01 8.44 0.59 0.03 0.00 0.00 0.00 90.06 0.87 79 H C C 57.12 10.29 11.00 22.99 113.29 -115.53 -75.39 137.29 88.91 11.07 0.02 88.17 0.94 0.08 0.00 0.01 0.00 10.38 0.42 80 P C T 103.63 3.04 12.52 16.94 93.99 -125.26 -63.88 -25.93 99.54 0.29 0.17 1.24 34.31 63.99 0.00 0.20 0.00 0.23 0.04 81 Y C T 181.12 1.24 12.64 13.65 101.18 35.40 -93.94 -19.28 98.69 1.01 0.30 1.39 37.46 60.00 0.01 0.32 0.00 0.55 0.27 82 K C S 103.24 4.74 11.70 18.23 123.34 25.14 -135.17 124.59 95.93 3.73 0.34 14.65 69.73 11.73 0.02 0.44 0.00 2.68 0.75 83 P C S 82.28 6.93 12.94 21.48 99.77 -138.24 -71.77 20.03 98.14 1.68 0.17 27.10 52.77 18.16 0.01 0.25 0.00 1.55 0.17 84 K C C 94.78 6.51 19.75 27.15 128.33 105.62 -118.32 150.69 76.08 23.75 0.17 40.76 34.78 1.51 0.03 0.18 0.00 20.77 1.98 85 L E E 20.30 21.69 14.01 35.61 110.92 -110.10 -74.03 128.78 8.77 91.22 0.01 8.36 0.33 0.02 0.00 0.01 0.00 89.46 1.83 86 Q E E 70.87 8.31 22.32 31.41 101.07 177.41 -98.29 -30.32 7.22 92.77 0.01 3.40 3.30 0.10 0.00 0.00 0.00 93.17 0.03 87 H E E 54.31 9.88 24.18 35.00 141.25 1.86 -155.66 151.12 0.68 99.31 0.00 0.46 0.08 0.00 0.00 0.00 0.00 99.45 0.00 88 I E E 7.17 25.06 16.59 42.11 124.38 -160.79 -126.78 130.98 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 89 D E E 35.97 10.00 26.24 37.12 119.91 -164.05 -113.08 130.75 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 90 F E E 14.38 23.46 17.36 40.74 123.91 -163.52 -117.25 135.41 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 91 V E E 45.91 10.13 22.56 33.50 124.99 -169.57 -123.02 137.55 0.46 99.54 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.55 0.02 92 R E E 103.39 12.18 16.66 28.99 114.91 -125.53 -82.48 132.95 7.61 92.38 0.01 7.57 0.12 0.02 0.00 0.00 0.00 91.91 0.38 93 A C C 40.71 13.32 14.99 28.41 110.30 -124.50 -77.70 138.58 99.67 0.33 0.00 99.71 0.04 0.01 0.00 0.00 0.00 0.24 0.01