# 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 113.87 6.05 12.12 19.72 117.30 -157.33 -100.00 135.08 99.74 0.24 0.02 99.74 0.08 0.03 0.01 0.00 0.00 0.12 0.02 1 C C C 91.32 4.02 9.41 15.30 117.04 -156.80 -101.88 134.86 80.74 11.22 8.03 74.79 1.76 4.17 5.97 1.93 0.00 7.88 3.51 2 S C C 80.16 3.32 8.73 13.90 115.00 -158.78 -99.17 134.57 69.42 13.45 17.14 47.09 12.43 8.92 13.77 4.51 0.03 10.92 2.33 3 S C C 85.40 2.44 9.37 13.42 112.82 -143.70 -94.21 127.20 61.14 15.53 23.34 40.18 12.13 7.98 19.50 5.06 0.06 13.25 1.84 4 V C C 100.76 4.36 8.54 14.63 116.06 -153.49 -99.95 130.72 49.97 19.28 30.75 35.01 8.71 5.83 26.93 4.82 0.06 16.77 1.88 5 A C C 76.51 3.36 10.13 15.08 113.56 -145.59 -88.23 134.29 43.40 21.63 34.97 32.63 5.46 4.62 31.23 4.39 0.03 20.01 1.62 6 M H H 121.56 4.59 9.37 15.54 112.17 -144.37 -92.33 127.90 33.63 20.99 45.37 24.57 4.94 4.54 39.68 4.98 0.04 19.88 1.37 7 A H H 75.99 3.68 10.32 15.58 112.06 -142.67 -91.47 132.08 30.98 19.76 49.25 22.23 4.76 4.83 42.59 5.40 0.04 19.02 1.13 8 E H H 136.00 2.76 11.17 15.36 111.13 -133.35 -88.61 126.69 30.58 20.32 49.09 21.99 4.63 5.07 42.56 5.26 0.04 19.26 1.19 9 V H H 94.35 5.33 9.51 16.38 111.60 -146.06 -92.10 126.44 29.55 17.14 53.30 21.16 4.70 5.24 47.34 4.58 0.05 15.63 1.30 10 A H H 72.70 4.32 10.67 16.48 109.50 -139.06 -87.71 130.56 35.47 9.90 54.63 24.39 5.57 6.71 49.22 4.55 0.04 8.48 1.03 11 T H H 94.01 3.51 11.19 16.20 108.94 -140.21 -89.03 98.74 44.46 6.41 49.13 28.41 6.54 10.01 44.18 4.70 0.03 5.17 0.95 12 A C H 71.60 4.59 10.81 16.94 109.91 -121.91 -81.73 112.61 51.63 3.44 44.93 34.18 7.53 10.04 40.65 4.43 0.02 2.28 0.87 13 A C H 73.61 4.51 10.74 16.78 108.66 -136.87 -88.33 93.01 55.45 2.76 41.79 38.37 8.03 8.67 38.45 4.00 0.01 1.71 0.76 14 T C C 90.62 4.05 11.52 16.98 110.25 65.12 -91.11 123.54 54.60 3.58 41.82 39.13 7.32 8.04 38.13 4.14 0.01 2.29 0.92 15 T C H 90.37 4.05 11.67 17.20 111.87 -151.45 -92.74 130.49 48.08 4.18 47.73 33.17 8.09 7.79 42.61 4.57 0.02 2.69 1.07 16 A C H 66.53 5.57 11.20 18.20 111.29 -137.45 -86.84 131.03 49.40 3.85 46.75 34.28 7.09 8.61 41.94 4.55 0.02 2.55 0.96 17 A C H 64.49 5.65 11.23 18.38 111.17 -132.60 -83.32 130.90 51.19 4.01 44.79 32.74 9.51 9.68 39.51 4.91 0.03 2.60 1.01 18 T C H 85.49 4.25 11.90 17.58 108.95 -139.76 -88.06 114.90 53.30 5.02 41.68 33.83 10.46 9.97 36.39 4.79 0.04 3.19 1.31 19 K C H 125.70 4.74 11.16 17.37 104.42 -126.87 -79.84 30.99 51.39 4.46 44.15 32.64 10.16 9.63 37.78 5.69 0.04 2.79 1.26 20 K C C 133.39 3.90 11.75 17.02 100.83 62.41 -78.01 -13.36 55.58 3.34 41.09 35.08 9.96 11.04 34.12 6.66 0.02 2.06 1.04 21 D C C 93.99 4.66 11.26 17.36 102.20 62.73 -85.14 8.06 60.73 3.34 35.92 40.02 8.52 12.09 29.04 7.10 0.01 2.08 1.15 22 K C C 130.24 4.50 11.12 17.17 104.81 75.85 -83.53 26.30 66.65 3.79 29.56 37.39 12.89 16.46 23.48 6.14 0.03 2.29 1.32 23 K C C 139.32 3.18 12.23 16.77 107.48 64.06 -89.59 79.76 73.06 4.88 22.06 42.92 16.39 13.46 17.87 4.58 0.02 2.58 2.17 24 A C C 49.04 7.47 9.99 19.09 117.91 -115.28 -82.66 148.61 86.67 2.23 11.10 54.64 27.57 3.48 11.12 1.23 0.00 1.19 0.76 25 P C C 77.39 4.09 12.84 18.28 109.75 -103.20 -66.93 151.55 74.15 1.73 24.13 59.33 6.67 6.32 23.58 2.52 0.00 1.01 0.57 26 Q H H 119.66 3.90 12.20 17.52 95.98 -108.95 -65.72 -34.80 31.89 1.07 67.04 19.94 7.17 6.49 60.87 4.61 0.01 0.59 0.32 27 E H H 114.53 4.23 13.06 18.49 94.76 56.46 -69.23 -35.91 21.46 2.46 76.08 13.84 4.29 5.39 68.58 5.48 0.03 1.99 0.41 28 E H H 100.68 4.61 13.72 19.56 95.55 53.97 -70.68 -36.49 16.78 4.24 78.98 12.00 2.70 3.96 71.31 5.63 0.02 3.94 0.43 29 V H H 68.79 5.58 13.87 20.86 94.78 54.28 -67.65 -40.34 16.31 5.07 78.61 11.42 2.63 3.82 72.45 4.37 0.03 4.71 0.57 30 V H H 68.99 5.98 13.93 21.25 94.98 52.78 -68.77 -39.18 20.10 5.02 74.88 13.47 3.16 4.98 69.24 4.07 0.04 4.37 0.67 31 V H H 74.68 6.29 13.14 20.69 96.13 53.77 -71.84 -33.16 27.52 3.53 68.95 16.95 4.38 7.58 63.91 3.84 0.04 2.62 0.68 32 Q H H 110.22 4.15 13.69 18.89 97.90 58.45 -77.05 -13.73 42.25 2.05 55.70 23.25 6.50 13.00 52.02 3.40 0.02 1.20 0.61 33 Q C H 106.58 5.26 12.16 18.76 101.07 71.85 -81.54 -3.20 56.81 1.56 41.62 28.28 11.32 17.38 37.38 4.22 0.02 0.77 0.63 34 T C C 90.08 4.62 12.40 18.42 101.24 68.57 -82.06 -8.19 67.25 1.68 31.07 28.45 14.44 24.64 24.87 6.01 0.03 0.82 0.74 35 D C C 94.82 4.86 13.81 19.96 103.58 72.55 -86.32 12.69 76.28 2.30 21.42 28.49 22.67 25.94 13.88 6.84 0.03 1.24 0.90 36 Q C C 102.35 6.75 15.96 23.66 108.78 83.02 -87.33 103.56 83.61 6.88 9.51 50.93 18.78 14.69 3.84 5.09 0.01 5.56 1.11 37 A C C 32.90 16.78 13.58 29.81 119.29 -143.68 -88.81 142.00 73.36 24.97 1.67 59.87 9.20 3.01 0.46 1.07 0.00 25.38 1.00 38 Q E E 69.39 12.00 21.99 33.78 125.12 -158.80 -117.09 141.26 30.90 68.61 0.48 25.19 4.92 0.84 0.13 0.32 0.00 67.61 1.00 39 V E E 40.72 15.34 22.20 37.30 118.05 -127.18 -92.78 136.33 17.32 82.60 0.08 14.72 1.88 0.19 0.01 0.05 0.00 82.77 0.37 40 G E E 3.83 22.22 18.87 40.82 132.87 -169.02 -124.01 159.81 5.78 94.21 0.01 4.90 0.46 0.03 0.00 0.00 0.00 94.54 0.06 41 V E E 46.83 10.28 26.15 37.32 121.19 -129.60 -112.58 132.64 1.20 98.80 0.00 1.04 0.04 0.00 0.00 0.00 0.00 98.90 0.02 42 I E E 15.42 22.51 15.62 38.73 109.39 -119.47 -76.82 124.14 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 43 I E E 70.78 7.29 21.68 30.08 100.57 175.06 -97.03 -33.07 1.03 98.97 0.00 0.66 0.18 0.01 0.00 0.00 0.00 99.15 0.00 44 K E E 92.31 4.97 24.02 29.77 139.57 -2.75 -152.82 151.58 0.51 99.49 0.00 0.31 0.10 0.01 0.00 0.00 0.00 99.58 0.00 45 V E E 47.96 18.60 14.44 32.23 116.59 -139.05 -105.10 123.67 0.53 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.47 0.01 46 L E E 69.17 8.47 18.44 28.00 109.59 -162.66 -98.26 90.98 2.23 97.76 0.01 1.79 0.21 0.02 0.00 0.00 0.00 97.94 0.03 47 G E E 28.28 7.65 17.99 26.70 141.82 -56.81 160.55 -176.65 5.74 94.25 0.01 4.25 1.06 0.08 0.00 0.01 0.00 94.53 0.07 48 R E E 127.82 7.26 14.09 23.00 124.51 -88.65 -114.77 145.11 11.79 88.16 0.05 10.66 0.84 0.09 0.01 0.03 0.00 87.36 1.01 49 T E E 79.32 6.54 11.47 19.71 119.38 -150.01 -107.39 142.44 44.39 55.19 0.42 36.33 7.03 1.00 0.12 0.34 0.00 52.57 2.59 50 G C S 44.63 2.70 12.11 16.08 125.81 27.60 105.49 -170.70 85.26 6.29 8.45 20.30 33.46 31.58 0.63 8.32 0.01 4.48 1.22 51 S C T 102.16 0.78 10.73 11.34 94.84 -67.13 -69.78 -20.96 87.51 0.79 11.70 3.48 21.82 60.52 0.47 12.88 0.00 0.46 0.37 52 R C T 178.77 1.39 10.83 12.73 99.92 49.73 -90.62 5.16 86.84 0.81 12.35 3.16 15.86 65.87 0.47 13.78 0.00 0.47 0.38 53 G C S 38.82 6.15 11.28 18.78 109.00 -79.13 84.05 -8.48 87.89 3.35 8.76 23.15 32.82 31.60 0.61 8.81 0.00 2.05 0.95 54 N C C 98.31 4.40 15.58 20.85 100.48 116.79 -79.29 17.64 80.94 17.84 1.22 56.21 17.99 6.70 0.23 1.17 0.00 15.36 2.34 55 V E E 41.17 13.17 13.37 27.53 121.49 65.09 -107.49 138.84 37.00 62.90 0.11 33.50 2.54 0.21 0.02 0.08 0.00 62.24 1.41 56 T E E 39.98 11.55 18.92 31.48 119.67 -160.56 -104.64 138.30 12.32 87.64 0.03 10.80 0.80 0.06 0.00 0.02 0.00 88.17 0.14 57 Q E E 50.91 13.11 20.79 34.21 124.89 -142.04 -112.83 140.14 2.22 97.77 0.01 1.86 0.16 0.01 0.00 0.00 0.00 97.93 0.03 58 V E E 10.22 20.95 17.90 39.22 124.28 -163.53 -119.32 136.91 0.70 99.29 0.00 0.64 0.02 0.00 0.00 0.00 0.00 99.33 0.01 59 R E E 70.68 10.39 24.74 35.78 117.60 -146.51 -100.16 130.69 0.58 99.41 0.00 0.52 0.03 0.00 0.00 0.00 0.00 99.44 0.01 60 V E E 8.26 23.17 16.80 40.17 124.42 -168.92 -119.00 138.25 1.49 98.48 0.03 1.30 0.07 0.02 0.01 0.01 0.00 98.57 0.02 61 R E E 91.40 8.73 24.72 33.84 120.25 -157.18 -110.65 131.89 2.03 97.86 0.11 1.77 0.11 0.04 0.04 0.03 0.00 97.94 0.06 62 L E E 30.59 18.69 15.89 34.57 114.57 -132.69 -86.97 130.54 8.19 91.49 0.32 7.34 0.62 0.17 0.12 0.14 0.00 91.19 0.42 63 M E E 60.15 10.58 17.10 28.93 116.68 -148.51 -98.03 135.85 45.59 50.59 3.82 38.55 4.81 1.89 1.35 2.16 0.00 50.05 1.19 64 A C C 54.33 8.26 14.16 23.66 115.61 -132.78 -87.65 142.15 67.23 24.46 8.31 43.50 16.92 8.00 2.93 5.08 0.03 21.35 2.18 65 E C C 115.67 5.82 11.34 18.70 110.76 -129.14 -87.68 120.08 81.07 10.81 8.12 51.50 17.66 12.31 2.71 5.44 0.01 7.66 2.71 66 E C C 139.84 2.57 11.06 15.10 106.25 104.78 -85.19 65.35 91.72 3.09 5.20 41.42 21.95 28.76 1.48 3.55 0.00 1.76 1.07 67 G C S 55.77 2.38 11.06 14.59 106.26 14.77 82.85 -2.45 96.46 1.42 2.13 32.04 36.16 28.23 0.38 1.85 0.00 0.69 0.64 68 S C C 58.77 4.15 9.83 15.61 120.54 88.89 -100.43 150.68 95.91 2.44 1.65 56.14 34.83 4.62 0.43 1.25 0.00 0.92 1.81 69 P C T 108.93 2.48 10.67 14.60 95.69 -110.81 -65.56 -23.09 82.11 0.67 17.22 11.05 12.93 57.54 2.26 15.44 0.00 0.35 0.42 70 E C T 135.32 2.94 12.25 16.27 99.14 56.20 -85.66 2.16 79.51 1.64 18.85 12.88 12.14 54.15 2.95 16.17 0.01 1.01 0.71 71 A C C 48.42 7.76 11.32 20.73 107.59 99.62 -84.98 106.76 72.11 6.52 21.37 34.10 17.76 21.47 3.38 17.41 0.02 4.05 1.81 72 N C C 85.14 8.18 14.35 23.44 110.00 93.39 -97.26 106.46 74.76 15.02 10.22 41.53 15.47 18.72 1.85 8.05 0.01 12.85 1.52 73 R C E 90.53 11.29 15.76 27.65 121.65 152.22 -111.38 136.55 52.50 45.30 2.20 41.83 8.21 2.56 0.47 1.66 0.00 43.93 1.34 74 T E E 57.45 12.20 17.19 29.82 123.70 -162.24 -115.83 135.61 11.87 87.94 0.19 10.86 0.94 0.15 0.07 0.08 0.00 87.40 0.49 75 I E E 35.49 14.94 17.34 33.20 121.24 -163.69 -116.87 130.76 1.87 98.10 0.04 1.74 0.13 0.02 0.01 0.01 0.00 98.02 0.07 76 V E E 60.68 12.51 19.36 32.19 121.58 -164.22 -116.09 129.02 1.13 98.86 0.02 1.06 0.05 0.01 0.00 0.00 0.00 98.82 0.05 77 R E E 68.43 13.52 19.10 32.88 129.73 -176.61 -133.09 143.75 7.40 92.55 0.05 6.77 0.34 0.05 0.01 0.02 0.00 92.69 0.12 78 N E E 73.84 8.51 22.60 31.48 112.11 -121.12 -83.03 128.91 16.90 82.96 0.14 14.10 2.19 0.27 0.03 0.08 0.00 82.95 0.39 79 V E E 14.87 22.32 12.34 34.37 117.41 -158.09 -103.87 128.79 25.80 74.07 0.13 24.31 1.35 0.13 0.06 0.07 0.00 68.36 5.72 80 K C C 135.20 3.63 21.21 25.13 105.88 -161.95 -95.27 55.57 67.75 32.12 0.12 37.79 30.18 1.03 0.02 0.13 0.00 29.18 1.68 81 G C S 28.55 5.03 21.97 27.29 137.78 -10.21 143.88 -176.96 85.65 14.32 0.02 4.09 80.10 1.15 0.00 0.02 0.00 14.38 0.27 82 P C C 72.16 7.54 20.97 28.94 114.68 -36.32 -68.19 143.71 84.78 15.19 0.02 76.25 7.29 0.32 0.00 0.03 0.00 15.39 0.71 83 C E C 8.62 24.41 11.93 36.16 123.81 -158.08 -114.13 142.89 44.56 55.38 0.05 46.25 0.88 0.05 0.04 0.02 0.00 22.14 30.62 84 K C C 103.00 4.69 24.89 29.90 130.65 -165.75 -122.68 157.88 78.46 21.49 0.05 79.47 1.08 0.09 0.02 0.03 0.00 12.24 7.07 85 E C T 108.01 10.26 15.92 26.92 109.43 -80.38 -59.15 133.47 99.06 0.80 0.14 0.16 1.62 97.68 0.01 0.07 0.00 0.35 0.10 86 G C T 42.23 4.69 20.21 25.86 96.53 25.07 90.31 -6.57 99.68 0.25 0.08 0.32 2.25 97.19 0.00 0.05 0.00 0.17 0.01 87 D C C 34.12 14.74 16.41 31.94 118.94 132.23 -73.21 147.95 91.62 8.32 0.06 88.82 2.87 0.08 0.01 0.04 0.00 7.80 0.37 88 M E E 65.24 12.05 23.32 35.55 119.59 -135.85 -106.21 132.72 4.31 95.60 0.09 4.25 0.18 0.03 0.08 0.03 0.00 92.88 2.56 89 L E E 6.59 24.41 18.91 43.38 126.70 -169.04 -118.29 143.14 3.29 96.45 0.26 3.01 0.25 0.09 0.20 0.07 0.00 96.13 0.26 90 S E E 28.06 13.54 25.81 39.40 121.51 -157.16 -112.53 134.03 10.27 88.83 0.89 9.14 0.86 0.37 0.56 0.34 0.00 88.26 0.46 91 L E E 15.82 22.46 18.29 40.41 114.29 -149.72 -97.31 128.46 32.24 64.33 3.44 25.87 5.15 1.49 2.20 1.30 0.01 62.75 1.23 92 M C C 63.69 12.03 21.35 33.38 114.49 -156.59 -91.19 134.71 60.96 31.44 7.60 50.03 7.33 2.79 5.19 2.57 0.01 29.81 2.26 93 E C C 76.33 12.81 17.41 30.11 107.14 -132.57 -86.08 102.40 75.06 13.18 11.76 55.01 15.24 4.37 9.15 3.13 0.01 11.23 1.86 94 T C C 49.91 8.50 16.92 26.57 119.28 97.01 -96.15 157.34 72.29 4.37 23.34 56.10 10.88 4.37 21.71 3.04 0.00 2.75 1.15 95 E H H 104.37 7.38 14.78 23.31 94.26 -116.99 -62.85 -35.68 15.22 0.50 84.28 7.74 3.65 5.29 78.39 4.45 0.03 0.30 0.15 96 R H H 135.79 2.34 17.22 19.45 92.60 53.28 -65.86 -40.01 10.28 0.41 89.31 4.44 1.94 4.61 83.30 5.28 0.05 0.28 0.11 97 E H H 65.87 7.11 14.76 23.68 92.59 50.12 -66.58 -38.97 8.74 0.46 90.81 4.05 1.43 3.78 83.87 6.37 0.03 0.36 0.11 98 A H H 22.79 11.91 11.27 24.72 92.08 53.57 -64.70 -39.04 9.58 0.41 90.01 4.31 1.55 4.13 82.09 7.49 0.03 0.29 0.12 99 R H H 139.66 2.74 14.61 18.14 92.01 53.43 -65.01 -37.85 18.12 0.44 81.43 5.42 2.28 9.90 70.03 11.88 0.04 0.29 0.16 100 R H H 153.03 2.07 13.54 16.26 92.47 54.43 -68.91 -30.33 32.45 0.54 67.00 6.75 3.14 21.54 57.59 10.37 0.05 0.32 0.24 101 L C H 81.17 8.34 9.96 19.33 95.68 54.58 -78.34 -13.99 50.74 0.91 48.35 23.57 2.08 24.63 43.20 5.53 0.01 0.46 0.53 102 R C C 156.56 4.53 13.63 19.80 102.20 112.56 -60.96 47.30 99.76 0.11 0.14 99.35 0.19 0.26 0.11 0.01 0.00 0.05 0.02