# 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 S C C 63.82 5.82 12.86 19.96 114.94 -154.25 -92.84 141.03 99.92 0.05 0.03 99.85 0.08 0.03 0.01 0.00 0.00 0.02 0.01 1 N C C 89.74 4.56 11.43 17.40 105.90 -145.56 -85.39 80.25 71.80 1.16 27.03 67.96 0.76 2.36 27.46 0.53 0.00 0.36 0.57 2 I H H 95.36 4.07 11.82 17.47 94.81 119.90 -65.35 -37.73 7.39 0.08 92.53 3.98 1.02 2.32 92.01 0.60 0.00 0.03 0.03 3 I H H 78.25 6.15 12.22 19.92 92.81 51.84 -65.59 -40.71 2.48 0.04 97.48 1.20 0.31 0.99 96.90 0.56 0.00 0.02 0.01 4 K H H 111.75 2.77 14.35 17.90 92.16 51.14 -65.07 -40.34 1.20 0.03 98.77 0.59 0.14 0.49 98.21 0.54 0.00 0.02 0.00 5 Q H H 95.06 2.31 15.08 17.64 92.06 50.51 -64.63 -41.28 1.01 0.02 98.97 0.42 0.11 0.45 98.67 0.33 0.00 0.01 0.00 6 L H H 69.99 4.88 14.49 20.86 92.39 50.04 -64.78 -41.44 1.12 0.02 98.87 0.41 0.11 0.54 98.63 0.30 0.00 0.01 0.00 7 E H H 83.48 6.21 14.47 22.05 92.30 50.89 -64.73 -40.65 1.62 0.01 98.36 0.53 0.16 0.84 98.12 0.34 0.00 0.01 0.01 8 Q H H 100.83 2.75 15.97 19.11 92.37 50.79 -65.42 -39.70 3.29 0.02 96.69 0.82 0.35 2.01 95.96 0.83 0.00 0.01 0.01 9 E H H 104.19 2.66 15.77 18.80 92.50 50.63 -66.25 -38.64 7.33 0.03 92.63 1.22 0.68 5.19 91.57 1.29 0.01 0.01 0.02 10 Q H H 80.69 6.92 13.61 21.88 93.16 51.75 -68.64 -34.29 19.38 0.09 80.52 3.23 1.78 13.97 78.96 1.95 0.01 0.03 0.06 11 M H H 92.29 7.26 12.60 21.21 94.42 59.46 -72.00 -23.37 40.67 0.46 58.87 14.56 6.07 20.84 54.36 3.65 0.04 0.19 0.28 12 K C H 138.60 2.90 13.82 17.83 97.80 64.66 -78.57 -11.29 61.21 1.06 37.73 32.05 7.62 21.43 33.13 4.70 0.01 0.47 0.58 13 Q C C 108.58 5.06 12.29 19.00 109.14 84.51 -87.42 109.24 80.16 1.13 18.71 45.21 16.98 17.50 15.13 4.03 0.00 0.49 0.66 14 D C C 110.09 2.99 15.59 19.68 106.85 -105.21 -83.43 100.15 93.68 1.12 5.20 71.27 10.70 11.79 2.82 2.17 0.00 0.56 0.68 15 V C C 46.23 16.78 10.48 26.56 116.96 134.65 -96.72 132.11 99.15 0.75 0.10 84.11 14.81 0.26 0.04 0.04 0.00 0.27 0.47 16 P C C 50.97 9.34 16.99 27.63 115.51 -111.48 -66.88 151.14 99.69 0.20 0.11 93.83 4.28 1.62 0.02 0.09 0.00 0.10 0.07 17 S C C 69.24 6.85 20.73 28.38 114.54 -110.32 -79.61 136.85 98.77 1.11 0.12 87.85 8.38 2.57 0.01 0.15 0.00 0.43 0.61 18 F C C 17.75 23.43 11.22 34.10 124.25 -156.92 -112.19 142.28 93.88 6.08 0.04 91.75 2.09 0.06 0.01 0.01 0.00 1.08 4.98 19 R C C 124.81 3.59 24.18 27.92 128.81 -159.33 -117.33 156.84 99.85 0.15 0.01 99.50 0.39 0.01 0.00 0.00 0.00 0.04 0.06 20 P C T 69.98 11.81 15.13 27.44 110.70 -81.59 -59.32 137.02 99.82 0.08 0.10 0.14 1.21 98.53 0.00 0.05 0.00 0.03 0.02 21 G C T 39.46 5.08 19.80 25.97 96.41 26.80 91.01 -7.12 99.90 0.05 0.05 0.21 1.21 98.52 0.00 0.03 0.00 0.03 0.00 22 D C C 33.02 13.08 16.24 30.76 118.91 131.62 -72.03 149.66 94.14 5.85 0.01 93.06 1.28 0.02 0.00 0.00 0.00 5.51 0.12 23 T E E 52.25 9.60 22.75 32.99 119.40 -130.16 -100.33 134.89 1.43 98.57 0.00 1.51 0.02 0.00 0.00 0.00 0.00 98.35 0.12 24 V E E 4.64 24.76 15.72 41.12 127.84 -171.22 -123.75 143.64 0.15 99.85 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 25 E E E 60.47 8.89 25.74 35.47 116.46 -141.44 -103.19 126.38 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 26 V E E 3.71 25.52 16.47 43.03 119.66 -163.89 -110.68 130.13 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 27 K E E 63.65 9.33 25.61 35.46 120.99 -165.57 -113.58 131.74 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 28 V E E 9.11 22.41 16.62 39.36 123.06 -167.09 -117.71 134.30 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 29 W E E 74.18 9.19 22.00 32.36 117.91 -153.00 -106.19 128.99 0.41 99.59 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 30 V E E 22.95 15.93 14.38 31.30 124.14 -169.22 -117.56 138.89 1.44 98.55 0.00 1.24 0.08 0.00 0.00 0.00 0.00 98.65 0.02 31 V E E 68.66 6.64 14.45 23.00 116.48 -141.86 -103.61 126.32 8.07 91.89 0.04 6.86 0.70 0.10 0.01 0.03 0.00 92.11 0.19 32 E E E 98.73 6.46 10.00 18.27 115.18 -176.49 -123.71 113.76 27.49 71.22 1.29 11.84 7.99 9.03 0.14 1.29 0.00 69.08 0.64 33 G C T 63.42 0.60 12.18 11.74 108.40 -38.87 65.83 -122.70 98.01 0.48 1.52 2.85 13.27 81.55 0.06 1.81 0.00 0.36 0.11 34 S C T 106.63 0.35 10.39 9.40 97.48 -29.81 -87.53 2.51 97.84 0.56 1.60 3.40 19.74 74.46 0.06 1.81 0.00 0.42 0.11 35 K E E 130.73 2.06 10.02 13.76 121.95 91.16 -103.47 144.56 24.12 75.73 0.16 14.06 9.60 1.58 0.02 0.15 0.00 73.93 0.66 36 K E E 131.74 5.34 9.92 17.54 118.31 -137.54 -96.62 133.20 11.82 88.15 0.03 9.89 0.97 0.14 0.00 0.02 0.00 88.82 0.14 37 R E E 104.83 5.91 13.88 21.75 128.70 -175.03 -130.35 147.13 3.27 96.73 0.01 2.82 0.19 0.02 0.00 0.00 0.00 96.92 0.04 38 L E E 90.45 9.05 13.99 24.32 118.13 -129.76 -95.46 133.49 1.19 98.80 0.00 1.08 0.04 0.00 0.00 0.00 0.00 98.87 0.01 39 Q E E 58.18 11.33 16.52 28.99 130.89 -176.27 -131.95 148.03 0.44 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 40 A E E 49.72 10.53 19.47 30.51 119.56 -131.99 -96.23 137.68 0.26 99.74 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 41 F E E 16.65 20.12 16.78 37.17 133.22 -176.64 -134.20 153.62 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 42 E E E 77.23 10.64 25.11 35.81 123.78 -143.90 -114.57 138.35 0.43 99.57 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.00 43 G E E 4.27 18.37 22.72 41.28 145.11 122.68 -167.07 -172.21 0.88 99.12 0.00 0.63 0.07 0.00 0.00 0.00 0.00 99.30 0.00 44 V E E 30.32 13.93 26.49 41.25 121.40 -67.87 -110.12 136.93 0.32 99.68 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 45 V E E 5.06 24.82 19.12 44.96 109.69 -118.44 -75.72 124.51 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 46 I E E 31.94 14.93 24.57 39.93 100.82 173.87 -99.42 -29.13 0.40 99.60 0.00 0.28 0.05 0.00 0.00 0.00 0.00 99.67 0.00 47 A E E 20.78 11.52 25.54 38.23 142.41 -0.39 -157.36 153.60 0.29 99.71 0.00 0.21 0.03 0.00 0.00 0.00 0.00 99.76 0.00 48 I E E 40.38 20.39 15.77 35.30 124.56 -158.65 -129.10 129.35 1.22 98.78 0.00 1.15 0.03 0.00 0.00 0.00 0.00 98.77 0.05 49 R E E 101.75 7.40 19.40 27.61 123.32 -170.65 -122.31 138.69 25.45 74.51 0.04 20.18 3.91 0.41 0.00 0.04 0.00 75.22 0.24 50 N C E 112.76 4.39 15.47 21.35 99.45 -21.14 18.99 61.35 65.00 34.87 0.12 31.33 29.80 2.67 0.01 0.14 0.00 35.68 0.36 51 R C C 138.11 4.86 12.58 19.09 114.32 149.62 -116.17 103.55 76.02 23.44 0.55 46.59 26.16 3.52 0.09 0.56 0.00 21.14 1.94 52 G C S 47.93 2.22 15.49 18.23 120.16 -66.37 74.17 -150.41 90.75 3.78 5.47 7.49 52.51 30.96 0.27 5.40 0.00 2.47 0.89 53 L C T 120.13 4.20 14.11 19.62 94.48 -25.45 -73.74 -19.78 92.49 1.23 6.28 3.54 33.93 54.34 0.18 6.87 0.00 0.80 0.33 54 H C T 99.43 8.06 16.16 24.98 107.62 47.26 -107.69 55.99 75.12 18.40 6.48 13.60 21.44 40.09 0.22 7.04 0.00 16.87 0.74 55 S E E 18.10 14.72 15.21 31.13 122.50 127.92 -101.77 144.37 44.87 54.77 0.35 40.38 2.44 0.55 0.04 0.28 0.00 55.88 0.43 56 A E E 20.78 12.93 22.49 36.24 134.48 171.31 -137.76 154.77 4.63 95.35 0.01 3.94 0.43 0.03 0.00 0.01 0.00 95.46 0.12 57 F E E 11.23 22.79 19.62 42.45 124.82 -151.94 -117.40 139.21 0.56 99.44 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.51 0.01 58 T E E 20.52 13.61 25.43 39.88 121.84 -156.51 -115.17 135.25 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 59 V E E 5.31 23.70 19.92 44.02 121.52 -163.44 -115.53 132.80 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 60 R E E 58.63 13.48 23.73 37.18 125.97 -170.22 -120.11 137.76 0.53 99.46 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.01 61 K E E 47.78 14.58 19.01 33.80 129.30 -172.03 -123.68 146.00 1.74 98.25 0.01 1.41 0.15 0.01 0.00 0.00 0.00 98.38 0.03 62 I E E 62.46 11.26 15.95 28.40 116.10 -136.91 -101.19 125.11 7.25 92.69 0.05 6.04 0.92 0.11 0.01 0.03 0.00 92.68 0.20 63 S E E 43.82 9.22 11.71 22.52 126.83 169.43 -135.80 138.73 16.94 82.73 0.33 11.93 4.24 1.36 0.08 0.26 0.00 80.95 1.18 64 N C T 142.83 0.75 13.87 13.57 93.37 -13.82 51.14 42.31 98.71 0.73 0.56 1.06 12.16 85.52 0.03 0.57 0.00 0.55 0.12 65 G C T 58.76 2.23 12.74 15.69 95.33 -49.41 81.47 0.86 99.01 0.53 0.47 1.25 13.59 84.17 0.02 0.49 0.00 0.40 0.08 66 E E E 107.16 4.05 15.19 20.78 125.00 101.35 -112.64 142.37 11.33 88.55 0.12 8.07 2.97 0.45 0.03 0.09 0.00 87.68 0.71 67 G E E 26.37 14.20 12.94 27.08 125.86 -149.51 -108.33 151.38 6.06 93.93 0.02 4.77 0.83 0.07 0.00 0.01 0.00 94.22 0.09 68 V E E 39.92 12.40 18.54 32.13 125.53 -159.66 -125.28 137.09 2.40 97.60 0.00 2.14 0.11 0.01 0.00 0.00 0.00 97.70 0.04 69 E E E 76.54 14.69 18.30 32.58 122.36 -154.94 -111.39 133.76 1.55 98.45 0.00 1.31 0.07 0.00 0.00 0.00 0.00 98.60 0.01 70 R E E 62.94 14.63 20.12 34.69 130.23 -175.14 -132.11 142.90 0.32 99.68 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 71 V E E 54.88 13.51 22.27 35.58 120.07 -149.00 -109.68 128.99 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 72 F E E 16.77 21.02 18.00 38.99 128.42 -172.68 -125.82 143.65 0.83 99.17 0.00 0.77 0.02 0.00 0.00 0.00 0.00 99.19 0.02 73 Q E E 74.68 8.74 24.48 33.37 114.71 -117.10 -77.06 140.21 13.33 86.63 0.04 11.75 0.99 0.20 0.01 0.03 0.00 86.71 0.31 74 T C T 28.13 20.83 16.80 36.73 94.14 -118.39 -63.86 -26.24 91.95 6.90 1.15 15.24 18.83 57.64 0.08 1.30 0.00 6.33 0.58 75 H C T 95.94 9.42 22.21 32.06 95.19 57.62 -89.37 4.24 96.27 2.79 0.94 16.54 21.37 58.12 0.06 1.22 0.00 2.07 0.62 76 S C C 14.75 18.77 14.54 33.71 112.92 124.68 -71.42 133.93 96.04 3.30 0.66 67.02 27.84 1.36 0.13 0.60 0.00 1.76 1.30 77 P C T 77.02 6.85 22.21 29.91 93.34 -129.27 -66.60 -18.30 96.22 1.58 2.20 5.52 26.14 64.70 0.36 1.81 0.00 1.19 0.28 78 V C T 37.90 15.41 19.22 34.49 96.11 58.66 -88.95 -6.90 82.30 14.93 2.78 8.75 12.19 61.90 0.57 2.29 0.01 13.48 0.82 79 V E E 10.36 24.52 12.95 37.31 111.72 105.89 -85.37 120.07 12.89 86.86 0.25 12.09 0.86 0.12 0.12 0.10 0.00 85.57 1.13 80 D E E 80.75 5.47 22.71 28.80 100.10 177.09 -94.79 -31.55 11.57 88.22 0.22 8.75 2.12 0.20 0.06 0.08 0.00 88.67 0.12 81 S E E 44.97 6.05 24.77 31.69 143.06 -0.52 -158.86 157.08 2.44 97.45 0.12 1.86 0.25 0.05 0.03 0.04 0.00 97.76 0.02 82 I E E 18.59 24.38 13.41 37.54 125.56 -160.47 -131.05 131.48 1.07 98.86 0.08 0.99 0.04 0.01 0.02 0.02 0.00 98.91 0.02 83 S E E 47.49 6.26 25.60 32.13 123.12 -169.39 -118.31 136.06 0.86 99.07 0.07 0.78 0.03 0.01 0.02 0.02 0.00 99.13 0.01 84 V E E 35.95 20.09 13.62 33.02 113.94 -145.98 -97.98 122.31 2.35 97.57 0.08 2.28 0.06 0.01 0.04 0.02 0.00 97.52 0.06 85 K E E 105.22 5.77 19.92 26.42 102.70 177.12 -97.50 -28.37 12.93 86.75 0.33 10.85 1.78 0.29 0.17 0.13 0.00 86.50 0.27 86 R E E 118.90 6.59 18.05 25.69 133.55 6.24 -143.18 145.42 29.47 69.63 0.91 23.60 5.41 1.01 0.43 0.46 0.00 68.38 0.70 87 R C C 125.76 10.63 14.19 25.52 118.36 -154.91 -110.04 132.67 62.33 35.21 2.47 47.85 10.22 3.29 0.92 1.35 0.00 35.15 1.22 88 G C C 29.30 8.77 15.44 25.04 130.43 125.89 -145.09 -168.86 84.24 9.37 6.39 53.89 23.33 7.44 3.43 2.80 0.01 7.75 1.36 89 A C C 73.34 4.38 17.45 22.59 110.19 -73.22 -83.62 128.73 80.42 6.05 13.53 58.29 15.62 6.35 9.49 4.45 0.01 4.28 1.50 90 V C C 54.36 14.86 11.16 25.58 115.47 -147.50 -95.05 129.67 71.13 5.30 23.57 54.49 9.92 6.45 17.03 7.06 0.01 3.55 1.50 91 R C C 137.17 5.71 16.32 23.01 109.86 -161.72 -91.77 124.53 71.36 4.03 24.61 54.09 9.82 7.04 17.66 7.56 0.01 2.61 1.21 92 K C C 119.36 7.34 16.04 24.13 106.81 -116.83 -84.35 71.15 64.26 3.64 32.09 44.20 11.29 8.45 22.26 10.40 0.02 2.30 1.07 93 A C C 45.53 12.41 13.94 26.51 108.43 63.29 -77.44 121.45 63.96 3.35 32.69 42.02 12.21 9.11 23.35 10.14 0.01 2.33 0.83 94 K C C 111.91 7.32 18.75 26.48 108.34 56.39 -86.28 104.03 62.84 6.93 30.22 45.25 8.84 8.16 22.41 8.50 0.02 5.55 1.26 95 L C C 37.59 17.90 13.90 31.12 105.59 96.29 -86.06 91.44 52.84 13.30 33.86 44.67 4.52 3.81 26.56 7.37 0.01 11.47 1.58 96 Y H H 99.73 8.71 19.37 28.53 96.63 100.98 -73.90 -33.34 33.40 16.29 50.31 19.95 5.71 8.41 35.39 14.32 0.06 14.92 1.24 97 Y H H 77.80 10.87 18.20 29.54 98.29 51.10 -78.79 -22.51 28.00 21.20 50.80 14.68 5.08 9.30 33.93 16.23 0.14 19.33 1.31 98 L H H 35.19 17.15 14.63 31.39 96.44 68.88 -78.06 -16.54 21.94 19.23 58.83 14.28 3.68 5.02 34.79 23.14 0.04 18.06 0.98 99 R H H 109.79 9.80 16.24 26.62 95.03 79.28 -69.09 -29.55 31.58 17.45 50.97 14.34 6.59 11.70 30.18 20.01 0.29 15.33 1.57 100 E C H 122.72 3.95 17.87 22.31 99.18 50.00 -90.26 -1.03 47.48 12.17 40.34 18.08 10.22 19.66 23.08 16.94 0.37 9.99 1.65 101 R C C 87.42 13.24 10.54 23.80 113.59 112.42 -86.11 127.49 75.98 7.00 17.02 52.62 15.30 7.23 13.92 4.20 0.02 5.01 1.71 102 T C C 88.15 4.52 14.55 20.37 117.67 -165.23 -108.59 144.54 80.13 4.48 15.38 51.38 13.57 14.25 12.64 3.86 0.01 2.73 1.55 103 G C S 42.84 4.26 15.25 20.48 115.22 9.24 80.11 -152.51 68.01 1.49 30.50 19.73 24.96 23.87 21.83 8.08 0.04 0.73 0.76 104 K H H 131.10 4.94 15.25 21.31 95.82 -24.84 -70.19 -30.79 45.96 1.56 52.48 15.67 12.16 18.53 37.01 15.01 0.09 0.94 0.59 105 A H H 48.04 8.79 14.29 24.26 94.68 61.03 -68.20 -31.62 38.98 3.46 57.56 17.02 8.25 13.96 39.84 17.47 0.11 2.51 0.84 106 A H H 36.44 10.42 13.90 25.61 96.98 61.85 -72.31 -26.77 37.90 5.52 56.58 22.62 7.04 9.02 41.35 14.58 0.05 4.32 1.01 107 R H H 116.62 6.93 17.72 25.20 100.13 66.74 -79.37 -17.10 40.45 10.24 49.31 26.54 7.76 7.57 39.27 8.96 0.07 8.16 1.69 108 I H H 56.24 13.01 13.60 26.93 101.65 67.70 -79.44 -6.62 39.12 12.60 48.28 28.33 6.33 5.58 41.67 5.61 0.05 10.75 1.69 109 K H H 106.83 8.09 15.02 23.78 100.17 66.14 -75.45 -24.06 40.24 12.61 47.15 28.62 5.98 6.06 39.91 6.56 0.05 11.35 1.46 110 E C H 113.72 4.99 13.60 19.90 101.45 65.02 -79.14 -15.42 45.54 11.06 43.40 29.41 7.81 8.69 34.69 8.35 0.07 9.44 1.55 111 R C C 135.18 5.90 12.53 19.76 103.24 60.63 -83.27 -0.94 54.65 8.88 36.48 35.79 7.66 10.98 29.44 7.40 0.04 7.01 1.69 112 L C C 82.44 9.46 9.48 19.67 105.85 66.24 -84.98 43.23 72.87 3.68 23.45 57.77 2.93 11.51 20.57 3.53 0.00 2.38 1.31 113 N C C 119.34 2.93 14.55 18.67 102.29 -120.95 -69.48 50.86 99.86 0.05 0.09 99.44 0.16 0.30 0.05 0.01 0.00 0.03 0.01