# 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 98.75 7.08 11.80 20.18 114.67 -160.66 -91.10 132.13 99.93 0.04 0.03 99.88 0.06 0.02 0.01 0.00 0.00 0.02 0.00 1 D C C 81.04 4.45 11.87 17.79 108.69 -133.69 -83.83 111.60 78.43 1.33 20.25 76.71 0.49 1.62 19.70 0.45 0.00 0.42 0.61 2 L H H 94.44 4.53 11.95 18.16 94.62 -149.85 -65.01 -36.21 6.99 0.08 92.93 3.63 0.97 2.38 92.21 0.74 0.00 0.03 0.03 3 I H H 75.31 7.12 12.11 20.66 92.80 52.70 -65.85 -40.04 2.79 0.06 97.15 1.36 0.37 1.15 96.33 0.75 0.00 0.03 0.01 4 R H H 130.62 2.94 14.53 18.31 92.17 51.75 -65.16 -40.15 1.30 0.04 98.67 0.65 0.16 0.53 97.94 0.69 0.00 0.02 0.01 5 K H H 109.92 2.48 15.37 18.12 92.24 50.80 -64.86 -41.35 1.32 0.04 98.64 0.60 0.15 0.58 98.18 0.46 0.00 0.02 0.01 6 I H H 68.59 5.69 14.30 21.60 92.81 49.10 -65.08 -41.67 1.68 0.04 98.28 0.64 0.19 0.82 97.85 0.46 0.00 0.03 0.01 7 E H H 82.77 6.74 14.31 22.31 92.47 50.98 -64.78 -39.86 3.01 0.04 96.95 0.89 0.33 1.67 96.51 0.56 0.01 0.02 0.02 8 A H H 61.04 3.08 15.40 19.14 92.62 51.38 -66.32 -37.52 9.08 0.05 90.88 1.65 0.89 6.26 90.07 1.07 0.01 0.02 0.03 9 Q H H 110.19 2.75 15.42 18.65 93.65 51.30 -71.05 -30.93 24.75 0.11 75.14 3.86 2.70 17.71 74.21 1.41 0.02 0.04 0.07 10 N C H 71.09 8.52 12.31 21.92 97.97 56.40 -82.97 -7.43 53.73 0.43 45.84 17.40 7.81 28.25 43.76 2.35 0.02 0.15 0.26 11 K C C 112.50 6.51 12.77 20.66 102.87 93.08 -77.60 13.84 69.04 1.31 29.66 45.21 10.04 13.07 25.92 4.41 0.00 0.56 0.78 12 K C C 121.43 5.32 12.53 19.24 103.83 91.62 -81.42 12.96 73.92 1.34 24.75 53.67 8.51 11.16 19.96 5.30 0.00 0.61 0.79 13 N C C 100.26 5.06 12.75 19.20 103.23 82.05 -83.98 14.89 73.70 1.28 25.02 41.37 18.52 14.20 16.24 8.34 0.01 0.55 0.77 14 E C C 121.44 5.04 13.23 19.66 101.85 77.01 -82.02 2.48 74.97 1.31 23.72 45.33 15.81 14.00 12.96 10.49 0.00 0.59 0.83 15 A C C 61.78 7.80 13.03 21.92 105.44 73.13 -82.70 60.45 78.80 1.08 20.12 52.86 15.29 10.63 9.20 10.81 0.00 0.50 0.72 16 F C C 86.25 11.97 13.79 26.07 111.89 62.61 -92.61 120.74 87.76 0.88 11.36 63.10 15.90 8.96 3.92 7.15 0.00 0.42 0.55 17 V C C 84.93 7.06 20.52 28.08 114.84 -153.04 -96.14 123.83 93.17 1.71 5.13 77.83 10.09 5.18 1.56 3.32 0.00 0.72 1.29 18 F C C 19.86 23.04 11.63 33.93 122.85 -165.84 -106.90 139.65 98.24 1.63 0.13 94.62 3.34 0.12 0.05 0.04 0.00 0.42 1.40 19 N C C 84.12 3.90 24.25 28.27 130.84 -167.09 -122.04 160.85 99.70 0.28 0.02 99.24 0.50 0.02 0.01 0.00 0.00 0.06 0.17 20 V C T 78.05 11.62 15.44 27.50 109.91 -78.01 -59.81 135.42 99.78 0.13 0.09 0.24 1.36 98.25 0.00 0.04 0.00 0.06 0.04 21 G C T 38.74 5.35 19.90 26.28 96.28 25.64 91.12 -6.84 99.94 0.03 0.03 0.25 1.28 98.43 0.00 0.02 0.00 0.02 0.00 22 D C C 31.22 13.30 16.34 31.11 118.46 130.84 -72.12 148.83 96.54 3.46 0.00 95.39 1.37 0.02 0.00 0.00 0.00 3.13 0.09 23 T E E 51.14 9.97 22.44 33.11 119.38 -131.41 -102.95 134.80 1.26 98.74 0.00 1.35 0.02 0.00 0.00 0.00 0.00 98.45 0.18 24 V E E 5.60 24.33 15.99 40.85 127.76 -171.20 -124.11 143.78 0.20 99.80 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 25 R E E 91.42 8.53 25.64 34.67 115.43 -136.08 -98.06 127.18 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 26 V E E 4.32 25.21 16.38 42.49 119.75 -164.13 -111.03 129.76 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 27 V E E 34.27 10.33 24.21 35.62 122.19 -166.35 -117.13 133.88 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 28 Y E E 25.31 19.61 17.01 36.73 127.08 -168.32 -125.34 140.09 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 29 K E E 79.60 8.53 20.60 30.07 115.80 -143.44 -99.41 126.66 0.43 99.57 0.00 0.40 0.00 0.00 0.00 0.00 0.00 99.59 0.00 30 I E E 30.43 14.86 13.37 29.35 123.13 -168.74 -115.77 138.08 0.76 99.24 0.00 0.66 0.03 0.00 0.00 0.00 0.00 99.31 0.00 31 I E E 90.52 5.54 13.86 21.23 115.25 -137.52 -100.80 126.15 2.89 97.10 0.01 2.41 0.21 0.02 0.00 0.00 0.00 97.31 0.05 32 E E E 97.79 6.06 9.54 17.48 114.30 -177.25 -124.10 109.92 14.08 85.83 0.09 10.95 2.12 0.46 0.01 0.07 0.00 86.09 0.30 33 G C T 63.21 0.53 12.02 11.33 110.83 -48.08 63.25 -132.16 99.43 0.28 0.29 1.16 13.32 84.91 0.01 0.35 0.00 0.22 0.04 34 S C T 107.62 0.28 10.23 8.84 96.07 -21.84 -88.47 1.83 99.60 0.16 0.23 1.07 13.52 84.98 0.01 0.28 0.00 0.12 0.02 35 N E E 102.76 2.17 10.23 14.08 122.73 87.13 -104.31 144.97 14.44 85.52 0.04 9.32 4.54 0.43 0.00 0.04 0.00 85.38 0.29 36 E E E 112.68 7.01 9.44 18.33 120.88 -148.34 -105.71 135.96 4.47 95.53 0.00 3.90 0.15 0.01 0.00 0.00 0.00 95.91 0.03 37 R E E 107.33 5.49 14.43 21.81 128.11 -175.48 -128.58 147.36 1.46 98.54 0.00 1.29 0.04 0.00 0.00 0.00 0.00 98.66 0.01 38 L E E 89.76 9.12 14.16 24.55 118.38 -130.77 -96.70 133.03 0.83 99.17 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.22 0.00 39 Q E E 51.08 12.36 16.01 29.47 129.92 -176.24 -129.90 148.08 0.47 99.53 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.00 40 S E E 50.61 10.07 19.75 30.42 119.16 -132.55 -97.48 135.56 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 41 F E E 15.74 20.52 16.67 37.41 132.24 -176.53 -131.86 152.29 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 42 E E E 72.30 10.85 25.09 36.04 124.37 -145.39 -116.23 138.32 0.47 99.53 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.61 0.00 43 G E E 4.55 17.96 22.60 40.82 145.29 122.48 -157.30 -173.06 0.78 99.22 0.00 0.57 0.05 0.00 0.00 0.00 0.00 99.37 0.00 44 I E E 37.21 13.10 26.29 40.33 121.07 -69.47 -107.87 137.29 0.28 99.72 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.75 0.00 45 V E E 5.45 24.63 18.47 44.16 109.73 -118.69 -75.83 124.29 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 46 I E E 34.92 14.19 24.08 38.76 100.82 174.26 -99.94 -28.04 0.41 99.59 0.00 0.30 0.04 0.00 0.00 0.00 0.00 99.65 0.00 47 S E E 25.20 9.94 25.36 36.53 142.71 -0.85 -159.06 154.70 0.51 99.49 0.00 0.39 0.04 0.00 0.00 0.00 0.00 99.56 0.01 48 F E E 58.87 19.90 14.75 33.61 126.21 -155.28 -130.77 133.24 3.85 96.14 0.01 3.64 0.14 0.01 0.00 0.00 0.00 96.05 0.15 49 Q E E 85.06 6.43 18.72 26.09 123.46 -173.35 -122.58 135.88 43.87 56.06 0.07 36.33 5.36 0.69 0.01 0.07 0.00 57.07 0.47 50 N C C 112.78 4.64 13.92 20.21 101.34 -66.21 45.20 53.58 78.67 21.11 0.22 39.18 34.39 4.37 0.02 0.26 0.00 21.23 0.56 51 K C C 136.06 3.25 12.29 17.11 117.90 154.73 -119.55 123.39 84.23 15.12 0.65 41.30 37.40 5.84 0.09 0.73 0.00 12.42 2.22 52 G C S 50.24 2.03 14.60 17.10 122.81 -32.97 82.06 -157.72 89.25 3.95 6.80 8.66 54.65 25.94 0.41 6.58 0.00 2.39 1.37 53 I C T 125.18 4.11 13.38 18.58 97.13 -19.02 -74.23 -17.09 92.02 1.25 6.73 3.18 27.15 60.72 0.17 7.63 0.00 0.79 0.36 54 G C T 33.71 8.76 15.11 24.57 111.32 52.28 -104.90 98.01 83.65 11.86 4.49 13.76 20.20 49.04 0.15 5.38 0.00 10.84 0.63 55 K C C 61.94 12.51 15.98 29.17 117.30 129.83 -86.20 140.01 62.96 36.83 0.21 58.51 2.64 0.44 0.03 0.18 0.00 37.68 0.53 56 T E E 30.95 12.97 20.77 34.45 132.75 -156.97 -130.87 151.20 7.56 92.44 0.01 6.86 0.37 0.02 0.00 0.00 0.00 92.56 0.19 57 F E E 10.52 22.15 18.89 41.26 126.63 -159.40 -120.92 143.06 0.53 99.47 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 58 L E E 29.35 12.64 25.36 39.05 119.25 -145.26 -107.27 132.02 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 59 I E E 5.07 24.13 19.38 44.03 122.58 -166.29 -115.91 133.97 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 60 R E E 57.27 13.44 23.71 37.18 122.91 -160.99 -112.93 135.09 0.43 99.57 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 61 K E E 43.05 15.59 18.49 34.16 129.83 -171.46 -126.19 147.08 1.00 98.99 0.00 0.85 0.05 0.00 0.00 0.00 0.00 99.08 0.01 62 I E E 68.84 10.43 16.96 28.47 116.23 -138.87 -103.55 124.64 3.08 96.91 0.01 2.59 0.29 0.02 0.00 0.00 0.00 97.02 0.08 63 S E E 40.06 10.77 11.55 23.56 125.87 169.54 -134.93 137.60 8.59 91.30 0.11 6.00 2.04 0.52 0.02 0.08 0.00 90.74 0.60 64 S C T 97.71 1.41 14.10 15.48 93.89 -14.57 51.02 44.78 99.29 0.44 0.28 0.48 6.27 92.61 0.01 0.26 0.00 0.31 0.06 65 G C T 60.24 1.88 13.50 15.59 95.04 -48.01 81.86 1.01 99.66 0.17 0.17 0.45 6.15 93.09 0.00 0.17 0.00 0.12 0.02 66 I E E 82.40 6.41 14.25 22.37 122.96 103.22 -113.20 134.94 4.83 95.14 0.02 3.23 1.29 0.12 0.00 0.01 0.00 95.06 0.29 67 G E E 27.80 11.99 14.29 27.07 118.54 -132.83 -86.06 142.25 1.94 98.06 0.00 1.60 0.11 0.01 0.00 0.00 0.00 98.27 0.02 68 V E E 35.57 13.39 17.83 32.41 125.71 -169.78 -126.38 137.82 0.67 99.33 0.00 0.62 0.01 0.00 0.00 0.00 0.00 99.36 0.01 69 E E E 75.80 14.13 18.65 32.55 120.62 -151.76 -107.97 132.90 0.52 99.48 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.54 0.00 70 K E E 51.70 14.94 19.96 34.92 129.87 -173.33 -129.27 144.38 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 71 I E E 64.19 13.28 22.17 35.28 119.57 -146.80 -110.30 128.81 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 72 F E E 15.32 21.06 18.36 39.40 126.10 -173.10 -125.53 138.23 0.92 99.08 0.00 0.81 0.02 0.00 0.00 0.00 0.00 99.16 0.01 73 P E E 39.01 9.91 24.09 34.82 112.48 -111.16 -67.86 141.67 7.05 92.94 0.01 6.12 0.47 0.07 0.00 0.01 0.00 93.15 0.18 74 V C T 24.52 21.65 17.38 38.35 92.97 -119.60 -62.42 -29.33 94.86 4.28 0.86 6.29 12.70 75.90 0.04 0.99 0.00 3.73 0.35 75 Y C T 102.73 10.75 22.84 33.89 94.72 58.91 -89.06 3.06 97.39 1.93 0.67 6.37 14.17 76.62 0.03 0.91 0.00 1.51 0.38 76 S C C 12.43 19.72 14.72 34.89 111.39 125.58 -71.58 128.91 96.72 2.99 0.28 69.40 26.72 0.87 0.06 0.28 0.00 1.56 1.11 77 P C T 73.38 7.36 22.10 30.47 92.60 -136.10 -66.40 -18.92 97.46 1.54 1.00 3.89 24.56 69.18 0.18 0.80 0.00 1.21 0.17 78 I C T 48.94 13.93 19.75 33.81 95.51 61.03 -87.73 -5.81 86.33 12.33 1.33 7.14 11.19 68.49 0.35 1.02 0.00 11.43 0.39 79 I E E 9.46 24.86 12.53 37.50 110.84 106.64 -82.38 120.18 7.02 92.93 0.05 6.75 0.31 0.03 0.02 0.02 0.00 92.27 0.59 80 E E E 95.92 5.79 22.59 29.05 99.70 176.50 -93.22 -34.11 5.92 94.02 0.07 4.69 0.71 0.05 0.02 0.02 0.00 94.46 0.05 81 K E E 87.05 5.74 25.02 31.63 140.96 0.66 -155.97 152.33 1.06 98.88 0.06 0.84 0.08 0.01 0.02 0.01 0.00 99.03 0.01 82 V E E 17.12 24.28 13.49 37.49 123.24 -158.20 -127.96 128.60 0.52 99.41 0.06 0.50 0.01 0.00 0.02 0.01 0.00 99.44 0.01 83 E E E 81.66 6.20 25.28 31.72 121.35 -170.03 -119.30 130.43 0.43 99.50 0.07 0.42 0.01 0.00 0.02 0.01 0.00 99.53 0.00 84 V E E 45.26 17.91 14.61 32.19 111.39 -134.74 -84.71 122.51 1.69 98.27 0.04 1.69 0.04 0.01 0.02 0.01 0.00 98.18 0.05 85 L E E 73.93 7.75 18.35 27.30 101.38 176.69 -95.35 -30.95 18.40 81.34 0.26 14.91 2.70 0.50 0.08 0.17 0.00 81.37 0.27 86 R E E 112.54 5.58 18.55 25.31 133.82 1.43 -146.52 144.49 36.73 62.82 0.45 27.63 7.90 1.10 0.11 0.34 0.00 62.33 0.60 87 R C C 141.51 7.96 14.05 23.63 115.88 -132.12 -90.06 133.76 67.96 30.87 1.17 51.92 11.70 3.40 0.29 0.82 0.00 30.94 0.92 88 G C C 30.56 9.85 12.87 23.47 128.77 101.40 -116.53 168.15 90.07 7.41 2.52 53.86 29.12 7.35 1.00 1.48 0.00 6.14 1.05 89 K C C 150.94 2.27 16.86 19.62 113.18 -80.20 -90.35 131.17 89.86 6.37 3.76 66.12 19.73 4.13 2.29 1.54 0.00 4.47 1.71 90 V C C 68.61 12.58 10.80 23.56 118.34 -143.38 -101.61 133.01 86.03 7.06 6.92 72.12 10.14 3.51 4.95 2.10 0.00 4.71 2.47 91 R C C 132.49 6.39 14.82 22.58 116.43 -157.05 -102.95 133.80 87.95 5.76 6.29 77.64 7.07 3.23 4.23 2.02 0.00 3.99 1.83 92 R C C 132.57 8.05 15.15 24.30 116.38 -134.03 -88.67 133.96 79.58 7.21 13.21 64.08 10.04 5.22 8.72 4.67 0.01 4.78 2.48 93 A C C 37.99 13.96 13.35 27.43 114.95 -116.91 -82.02 140.91 80.58 5.01 14.41 63.03 11.44 5.99 9.66 4.91 0.00 3.67 1.29 94 K C C 109.80 7.49 19.29 27.20 112.85 -136.88 -90.15 124.27 77.15 7.99 14.86 62.80 8.50 5.41 10.32 4.93 0.01 6.07 1.96 95 L C C 38.27 17.92 14.17 31.54 103.72 -139.93 -88.86 84.35 61.16 12.32 26.52 53.33 4.59 3.41 17.99 8.48 0.00 9.31 2.87 96 Y H H 100.76 8.52 18.41 27.58 95.21 148.15 -70.34 -32.77 33.29 9.92 56.79 15.62 6.08 11.82 28.84 28.18 0.06 8.50 0.90 97 Y H G 81.72 10.12 17.45 28.29 93.43 58.73 -70.85 -26.67 29.56 11.86 58.58 10.78 5.15 13.54 29.01 30.20 0.12 10.34 0.84 98 M H G 36.03 16.61 13.87 30.44 95.61 55.88 -84.84 -10.68 24.91 12.45 62.64 12.42 4.43 8.36 27.61 35.55 0.06 10.70 0.87 99 R C T 102.79 11.03 14.89 26.58 93.61 83.28 -66.14 -30.03 49.36 10.10 40.54 7.73 6.61 33.94 21.71 20.37 0.15 8.33 1.17 100 N C T 115.70 2.70 18.01 20.78 98.34 44.26 -93.96 5.39 65.59 3.84 30.57 8.93 12.21 43.49 15.06 16.13 0.06 3.42 0.70 101 R C C 91.88 12.19 11.20 23.83 115.71 106.73 -84.72 134.04 84.54 3.69 11.77 63.12 15.97 5.10 8.91 3.22 0.00 2.20 1.47 102 I C C 101.01 5.87 14.01 21.54 123.73 -167.42 -115.83 144.97 81.26 5.78 12.95 64.09 10.32 5.32 12.70 1.89 0.01 2.62 3.06 103 G C H 40.92 3.32 16.69 20.70 121.89 14.89 81.66 -160.67 55.32 1.51 43.17 22.95 21.51 11.57 39.53 3.10 0.04 0.66 0.64 104 K H H 145.17 2.27 16.13 18.89 93.79 -38.17 -66.63 -34.30 19.30 0.59 80.11 6.53 4.53 9.62 73.94 4.71 0.09 0.36 0.21 105 A H H 41.06 7.90 15.56 25.00 92.40 55.20 -64.69 -39.16 13.67 0.61 85.71 6.43 2.32 5.80 80.09 4.74 0.03 0.43 0.17 106 A H H 16.24 14.76 13.26 29.08 91.95 52.35 -64.16 -40.35 9.40 0.55 90.06 6.00 1.37 2.77 85.75 3.60 0.01 0.41 0.11 107 M H H 87.60 4.49 18.97 24.00 92.11 51.93 -64.52 -40.18 8.14 0.95 90.91 5.32 1.09 2.34 87.96 2.33 0.01 0.80 0.15 108 K H H 103.29 3.24 19.62 22.75 92.21 51.24 -65.17 -40.62 7.74 1.20 91.06 4.91 1.04 2.41 88.40 2.01 0.01 1.05 0.17 109 I H H 35.23 13.19 14.94 29.15 92.45 50.24 -65.21 -41.43 6.68 0.82 92.49 4.15 0.92 2.11 89.97 2.04 0.01 0.67 0.13 110 K H H 89.30 10.08 15.84 26.49 92.42 52.44 -64.74 -39.22 8.56 0.70 90.74 4.57 1.15 3.28 87.64 2.66 0.02 0.55 0.14 111 E H H 117.52 2.42 16.81 19.28 93.39 52.01 -66.94 -35.15 14.19 0.64 85.16 5.80 2.00 6.78 81.69 3.08 0.04 0.43 0.19 112 R H H 128.77 4.77 15.02 20.84 94.65 52.18 -74.21 -29.89 22.12 0.71 77.16 8.42 3.39 10.75 73.92 2.83 0.04 0.39 0.25 113 L H H 60.87 12.67 10.87 23.68 99.02 58.86 -80.58 -13.26 38.17 1.59 60.24 17.52 7.31 13.81 57.51 2.41 0.04 0.79 0.59 114 T C H 84.05 5.09 12.54 19.04 105.68 75.68 -88.54 66.13 60.80 2.59 36.61 34.54 8.47 16.53 35.61 2.58 0.02 1.34 0.92 115 I C C 107.40 5.23 9.69 16.64 110.70 113.56 -92.83 113.69 80.92 2.13 16.96 68.47 1.56 9.42 16.99 1.50 0.00 1.18 0.88 116 K C C 147.49 2.83 12.34 16.76 109.56 -147.37 -88.09 109.47 99.94 0.03 0.02 99.87 0.06 0.05 0.01 0.00 0.00 0.02 0.00