# 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 114.01 5.02 10.48 17.28 117.67 -155.65 -97.90 136.02 99.83 0.14 0.03 99.63 0.20 0.05 0.01 0.00 0.00 0.07 0.03 1 P C C 92.55 3.32 9.25 14.34 113.09 -110.44 -69.31 146.53 86.01 1.71 12.28 81.48 1.08 5.62 6.01 4.05 0.00 0.89 0.86 2 L C C 132.48 1.87 7.73 10.97 102.36 -137.33 -79.49 -2.90 70.99 4.22 24.79 40.81 13.95 16.45 11.65 12.83 0.03 2.20 2.08 3 F C C 149.48 2.75 6.89 11.07 111.68 56.45 -92.09 115.53 60.88 6.01 33.10 35.79 12.73 12.62 16.24 16.78 0.05 3.51 2.27 4 A C C 80.50 2.36 8.14 12.07 109.62 -151.32 -87.99 117.42 55.61 5.99 38.39 38.68 9.50 7.64 18.96 19.62 0.02 4.00 1.58 5 R C C 173.25 1.82 8.18 11.43 110.14 -124.19 -89.94 113.43 53.84 7.21 38.95 36.97 8.29 8.68 18.23 20.96 0.02 4.99 1.85 6 L C C 128.05 2.13 7.47 11.14 109.15 -141.93 -89.87 108.48 59.59 5.83 34.57 35.95 10.89 12.74 16.74 18.07 0.04 3.82 1.75 7 C C C 102.53 1.95 7.36 10.79 111.30 -100.71 -94.42 116.15 67.13 6.17 26.70 39.37 13.75 14.12 13.33 13.39 0.05 3.70 2.29 8 Q C C 130.77 2.27 7.38 11.51 117.47 -157.59 -96.50 136.81 89.07 4.31 6.62 54.36 31.64 3.38 4.54 2.05 0.01 2.12 1.89 9 P C C 113.59 1.62 7.58 10.84 113.27 -110.42 -72.35 142.72 81.27 4.13 14.60 61.68 9.47 9.71 8.47 6.38 0.00 2.76 1.51 10 Q C C 142.43 1.97 7.19 10.71 114.09 -129.90 -91.71 131.51 78.54 5.26 16.21 56.52 11.35 10.27 9.14 7.37 0.01 3.39 1.95 11 S C C 88.40 1.88 7.24 10.84 115.23 -135.02 -92.25 137.76 76.72 7.27 16.00 54.58 12.78 8.95 9.42 6.96 0.02 5.00 2.28 12 R C C 179.39 1.70 7.32 10.76 116.73 -148.69 -100.75 133.76 72.42 11.44 16.14 52.27 12.03 7.36 10.93 5.95 0.03 8.27 3.16 13 R C C 172.87 1.88 7.16 10.89 116.88 -151.23 -100.51 136.25 69.89 14.55 15.56 52.26 10.38 6.20 11.39 5.05 0.04 11.29 3.39 14 M C C 143.81 1.74 7.27 10.55 115.27 -148.28 -97.62 132.62 67.40 15.75 16.86 49.48 10.29 6.49 12.47 5.42 0.05 12.74 3.05 15 F C C 165.89 1.70 6.73 9.96 113.96 -154.26 -96.74 124.59 59.01 15.42 25.56 39.03 10.93 8.90 17.59 8.42 0.12 12.33 2.67 16 S C C 87.76 1.86 7.18 10.55 113.95 -160.84 -99.33 133.03 62.72 14.11 23.17 41.28 10.40 10.56 15.63 8.07 0.10 11.71 2.26 17 S C C 92.87 1.33 7.23 9.84 109.74 -152.02 -95.21 94.62 65.27 13.40 21.33 41.68 11.72 11.37 14.51 7.48 0.09 10.44 2.72 18 I C C 138.12 1.53 7.20 10.19 114.17 78.00 -98.74 122.79 70.29 11.28 18.43 46.43 14.29 9.03 13.88 5.33 0.07 8.03 2.93 19 S C C 83.09 2.33 7.72 11.71 117.08 -158.90 -100.84 137.19 76.27 8.45 15.28 52.72 13.42 9.53 10.97 5.03 0.03 6.14 2.16 20 S C C 88.71 1.88 8.31 11.74 110.86 -145.85 -92.34 124.11 75.66 7.27 17.07 49.20 14.67 11.44 11.69 5.89 0.04 4.91 2.17 21 F C C 150.76 2.99 7.62 12.28 111.02 -163.35 -97.31 115.64 70.36 7.80 21.83 46.22 15.26 8.70 16.66 5.64 0.07 4.46 3.00 22 S C C 74.35 2.93 9.02 13.53 113.60 -140.87 -94.29 135.36 71.29 5.22 23.50 53.04 10.36 7.25 18.82 5.52 0.02 3.28 1.71 23 A C H 84.16 2.53 8.65 12.63 100.01 -142.49 -75.97 -11.09 51.57 4.74 43.70 30.54 10.06 11.97 30.90 11.97 0.10 2.92 1.53 24 L H H 123.71 2.15 8.35 11.92 101.01 67.13 -81.00 -1.74 45.98 4.47 49.55 24.86 8.92 13.12 33.25 15.50 0.12 2.85 1.38 25 S C H 79.03 3.05 8.88 13.46 102.52 65.56 -85.00 7.47 49.24 4.96 45.81 28.47 8.90 12.46 30.35 14.99 0.09 3.20 1.53 26 V C C 108.84 2.94 8.63 13.01 109.54 74.55 -92.32 101.37 57.54 5.78 36.67 31.54 11.72 15.02 24.84 11.23 0.13 3.56 1.96 27 L C C 124.50 2.58 8.48 12.70 109.83 -128.61 -91.04 109.02 70.50 7.55 21.95 42.80 15.58 11.97 16.00 6.32 0.06 4.56 2.72 28 R C C 164.07 2.54 8.79 13.09 117.04 -148.29 -97.82 133.53 84.60 7.91 7.50 57.71 23.30 3.43 6.13 1.93 0.01 4.71 2.77 29 P C C 100.25 3.21 8.43 13.55 113.00 -113.48 -70.82 144.21 82.40 7.62 9.98 69.26 7.38 4.94 7.20 3.29 0.00 5.50 2.43 30 Q C C 135.40 2.48 8.72 12.92 112.90 -133.60 -89.33 128.53 77.78 8.36 13.87 61.51 9.73 5.36 10.33 4.33 0.00 4.87 3.87 31 T C C 104.30 2.37 8.57 12.50 108.95 -156.61 -90.64 101.54 65.81 5.95 28.23 45.94 10.31 9.40 19.72 8.73 0.02 3.71 2.16 32 G C C 54.00 2.50 9.93 13.69 108.09 14.19 -74.07 -19.36 61.17 4.16 34.67 38.11 10.87 12.45 21.54 13.02 0.04 2.55 1.42 33 M C C 131.69 2.72 9.33 13.32 107.23 60.33 -88.92 66.76 51.47 6.73 41.80 30.59 9.91 11.69 25.81 15.56 0.09 4.35 2.00 34 L C C 114.17 3.59 8.42 13.60 110.03 72.67 -89.49 113.13 50.72 8.57 40.71 32.01 9.56 9.90 26.29 13.98 0.10 5.66 2.49 35 L C C 118.27 3.17 9.16 13.92 109.98 -148.78 -90.65 119.35 58.44 7.92 33.64 35.89 10.98 11.98 23.49 9.97 0.09 5.00 2.60 36 N C C 119.30 2.35 9.23 12.98 109.64 -149.32 -91.14 118.90 71.35 5.99 22.66 40.30 14.05 17.14 15.46 7.23 0.06 3.49 2.28 37 S C C 87.34 2.31 8.38 12.23 106.93 -151.43 -91.37 58.36 80.10 5.53 14.36 45.85 20.06 14.51 8.49 5.69 0.02 2.95 2.43 38 S C C 80.72 2.57 8.30 12.53 112.94 121.13 -94.19 133.74 86.76 5.68 7.55 55.94 23.20 7.81 3.49 4.01 0.01 3.15 2.39 39 P C C 111.53 1.83 8.56 11.81 108.02 -119.22 -77.22 126.88 83.30 6.67 10.04 57.82 13.04 12.39 3.26 6.81 0.00 4.50 2.19 40 L C C 124.39 2.87 7.47 12.10 112.18 -136.05 -88.46 125.54 80.59 10.58 8.84 49.69 16.87 14.40 2.70 6.03 0.01 6.64 3.65 41 K C C 156.38 1.83 8.86 12.29 115.27 -154.41 -98.91 129.89 83.22 11.38 5.39 51.45 22.75 9.39 1.62 3.82 0.01 7.25 3.70 42 T C C 96.74 3.24 8.02 13.24 117.35 -148.92 -100.46 135.43 91.44 7.05 1.52 68.51 20.99 2.13 0.58 0.94 0.00 5.01 1.84 43 P C C 100.89 3.14 8.63 13.66 113.08 -114.60 -72.14 143.46 91.04 5.88 3.07 79.25 6.89 4.73 0.91 2.13 0.00 4.49 1.59 44 S C C 88.07 2.28 8.84 12.70 114.56 -138.09 -96.39 135.91 88.74 7.80 3.46 73.73 8.57 6.14 1.18 2.25 0.00 5.78 2.35 45 F C C 157.77 2.54 8.03 12.34 113.07 -150.94 -94.90 121.90 85.24 10.92 3.85 67.57 12.33 4.68 1.84 2.16 0.00 6.89 4.53 46 T C C 97.40 2.55 8.51 12.81 116.39 -152.36 -102.41 131.40 88.27 5.40 6.33 69.87 13.99 4.34 3.77 2.61 0.00 3.55 1.87 47 P C C 98.90 3.52 8.71 13.97 106.21 -121.95 -69.95 129.88 79.37 3.23 17.40 54.76 11.41 13.07 10.36 7.13 0.00 2.00 1.28 48 L C C 125.20 2.67 9.41 13.56 106.75 -125.14 -83.22 84.18 69.90 3.73 26.37 39.44 13.95 16.97 16.32 9.69 0.03 1.99 1.61 49 G C C 52.21 3.05 10.09 14.49 106.58 27.03 -81.39 25.27 66.05 3.31 30.63 41.78 11.45 12.92 21.07 9.49 0.02 1.78 1.48 50 F C H 140.10 3.82 9.31 14.50 104.43 80.43 -87.37 22.60 48.75 2.76 48.49 25.87 9.74 14.95 36.56 10.11 0.10 1.51 1.16 51 G H H 46.32 3.68 11.79 16.58 108.54 51.20 -40.88 -66.54 46.29 2.25 51.47 24.40 9.03 14.84 39.52 9.97 0.09 1.27 0.88 52 L H H 106.45 3.94 10.85 16.09 98.79 9.59 -73.73 -28.46 35.47 2.74 61.78 19.64 7.10 10.89 47.48 12.18 0.11 1.70 0.89 53 I H H 109.82 3.66 11.13 16.15 100.34 60.28 -77.04 -21.35 31.68 3.54 64.78 15.75 6.64 11.84 50.94 11.18 0.22 2.36 1.08 54 G H H 43.71 4.11 11.85 17.30 100.65 55.93 -73.75 -17.19 38.40 3.29 58.31 19.96 7.94 12.87 46.80 9.19 0.12 2.13 1.00 55 Q H H 103.81 5.01 10.76 17.28 104.48 58.73 -84.15 15.37 38.65 4.32 57.04 23.41 7.76 9.87 46.56 8.29 0.08 2.90 1.13 56 R H H 144.44 3.39 11.61 16.37 104.16 60.92 -84.04 -0.95 33.87 5.95 60.18 20.93 6.87 8.65 48.36 9.46 0.11 4.20 1.43 57 R H H 142.40 3.84 11.30 16.44 101.50 55.20 -79.55 -17.16 35.36 6.20 58.44 20.39 6.88 10.41 46.73 9.44 0.14 4.58 1.43 58 W H H 151.95 5.06 10.31 16.77 102.35 54.64 -84.96 -4.82 38.55 5.77 55.68 20.65 8.31 12.06 43.61 9.69 0.16 3.97 1.57 59 K H H 138.21 3.06 11.31 15.75 102.02 70.55 -82.99 -14.48 46.24 4.74 49.03 23.97 10.58 13.56 38.42 8.77 0.13 3.11 1.46 60 S C H 73.39 3.52 10.77 15.66 108.82 51.56 -90.65 119.66 55.27 4.31 40.42 26.48 10.63 19.44 29.85 9.26 0.14 2.53 1.67 61 R C T 158.59 3.44 9.81 14.87 109.60 -105.38 -87.65 101.21 67.23 3.43 29.34 21.10 14.15 32.61 20.19 8.36 0.16 1.74 1.69 62 G C T 48.60 4.01 11.43 16.80 111.54 7.70 86.26 -157.87 81.13 2.31 16.56 28.12 18.66 35.31 8.50 7.09 0.02 1.13 1.16 63 N C C 107.59 4.47 11.08 16.92 106.10 6.42 -91.16 46.83 81.93 4.06 14.02 44.26 20.41 17.72 5.81 7.78 0.02 2.11 1.89 64 T C C 86.24 4.44 12.20 18.10 110.81 122.99 -96.83 103.11 81.93 6.80 11.27 44.29 22.74 15.65 4.66 6.16 0.03 3.67 2.80 65 Y C C 121.26 7.99 10.77 20.04 114.63 -138.01 -94.21 129.65 85.32 6.54 8.14 57.65 19.86 7.46 4.41 3.69 0.01 3.13 3.78 66 Q C C 90.54 6.14 12.40 20.22 113.04 -168.38 -107.40 112.47 94.67 1.42 3.91 83.54 9.65 1.40 3.36 0.66 0.00 0.64 0.75 67 P C H 78.01 6.44 11.87 20.10 96.24 -142.38 -63.86 -24.90 55.73 1.28 42.99 29.43 5.73 20.44 31.86 11.21 0.01 0.78 0.52 68 S H H 67.32 3.93 13.49 18.62 96.31 60.56 -77.32 -14.54 49.15 1.38 49.47 21.46 7.01 21.18 37.43 11.43 0.05 0.91 0.53 69 T H H 59.05 7.37 12.52 21.39 97.61 66.35 -78.22 -18.72 37.94 2.24 59.83 24.64 7.25 7.55 49.44 8.97 0.02 1.47 0.66 70 L H H 75.62 7.34 12.91 21.63 94.44 66.73 -66.49 -37.71 20.70 1.64 77.66 14.59 3.73 4.02 72.95 3.22 0.01 1.15 0.33 71 K H H 118.56 2.87 15.49 18.79 93.43 53.64 -66.10 -40.17 13.75 1.81 84.44 8.89 2.28 3.93 80.07 3.08 0.02 1.44 0.28 72 R H H 110.40 5.19 14.67 21.12 93.46 50.81 -66.72 -38.96 11.30 1.76 86.94 6.64 1.95 3.86 82.46 3.31 0.03 1.48 0.25 73 K H H 84.11 9.81 13.26 23.94 93.02 51.48 -66.34 -38.34 10.53 1.42 88.05 5.50 1.82 4.15 83.66 3.41 0.03 1.19 0.23 74 R H H 128.68 5.62 15.05 21.61 94.64 48.49 -72.20 -33.86 13.74 1.36 84.90 5.85 2.25 6.58 80.39 3.50 0.08 1.05 0.31 75 T H H 86.59 2.97 16.77 19.87 97.21 44.55 -78.59 -36.59 21.68 1.06 77.27 5.28 3.67 13.56 73.23 3.01 0.18 0.67 0.39 76 F H H 104.79 6.11 15.45 22.49 102.46 32.01 -98.45 -9.78 41.38 1.35 57.27 7.98 9.26 24.99 54.03 2.18 0.24 0.61 0.70 77 G H H 22.50 8.64 16.28 26.11 111.89 -2.48 66.38 -134.04 49.07 0.93 50.01 25.64 11.88 11.73 47.80 2.12 0.02 0.39 0.42 78 F H H 71.27 12.12 15.13 27.50 93.41 -20.44 -64.64 -39.89 8.57 0.15 91.27 2.66 1.48 4.55 88.65 2.47 0.04 0.09 0.05 79 L H H 82.04 4.97 17.69 23.53 92.26 51.57 -64.57 -40.76 3.22 0.13 96.65 0.87 0.43 1.85 94.03 2.68 0.01 0.11 0.02 80 A H H 47.10 4.10 17.73 22.69 92.00 51.17 -64.45 -40.38 2.03 0.08 97.89 0.45 0.23 1.24 93.81 4.18 0.01 0.07 0.01 81 R H H 67.82 10.34 14.52 26.15 92.37 51.22 -66.92 -35.76 3.09 0.07 96.85 0.42 0.27 2.21 92.07 4.97 0.01 0.05 0.01 82 A H H 45.62 9.75 13.19 24.22 91.72 58.21 -69.03 -22.93 19.67 0.13 80.20 1.12 1.10 17.56 75.43 4.59 0.05 0.08 0.07 83 K C T 156.21 1.31 16.38 16.96 94.15 58.91 -83.64 -12.90 64.16 0.24 35.61 3.20 4.74 55.15 33.40 3.19 0.05 0.09 0.18 84 S C S 43.40 6.33 9.68 18.23 123.12 86.82 -87.14 156.78 96.70 1.04 2.26 13.34 81.63 1.28 2.27 0.21 0.00 0.20 1.05 85 K H H 167.76 0.85 14.47 14.56 91.86 -112.22 -60.80 -35.32 42.61 0.12 57.27 1.49 4.74 35.50 55.41 2.64 0.08 0.05 0.08 86 Q H H 110.82 3.04 14.79 18.47 93.09 50.06 -69.66 -30.34 38.56 0.09 61.36 1.96 3.06 32.65 59.78 2.42 0.04 0.04 0.06 87 G H H 10.27 12.65 11.16 25.33 92.45 59.18 -63.10 -41.38 12.11 0.13 87.76 5.31 1.99 5.31 84.88 2.40 0.01 0.06 0.06 88 S H H 52.62 5.16 16.08 22.50 92.00 51.77 -64.08 -40.41 2.96 0.03 97.01 1.18 0.34 1.24 96.60 0.61 0.00 0.01 0.00 89 K H H 119.41 1.68 19.97 19.98 91.93 50.59 -65.25 -41.07 1.55 0.03 98.42 0.59 0.19 0.69 98.08 0.43 0.00 0.02 0.00 90 I H H 53.41 7.49 17.11 26.05 91.92 50.08 -64.12 -43.03 0.70 0.03 99.27 0.29 0.09 0.31 98.98 0.30 0.00 0.02 0.00 91 L H H 40.34 12.03 14.83 27.89 91.92 50.58 -63.82 -42.02 0.36 0.01 99.62 0.11 0.04 0.19 99.46 0.19 0.00 0.01 0.00 92 K H H 111.79 2.46 18.83 20.95 91.72 50.57 -63.77 -41.04 0.42 0.01 99.57 0.08 0.03 0.27 99.46 0.15 0.00 0.01 0.00 93 R H H 121.63 2.25 17.46 19.32 91.75 49.74 -64.61 -40.76 0.66 0.01 99.33 0.10 0.05 0.46 99.19 0.20 0.00 0.01 0.00 94 R H H 69.06 9.17 12.83 23.40 92.07 50.62 -65.14 -40.90 1.28 0.02 98.70 0.21 0.10 0.89 98.46 0.33 0.00 0.01 0.00 95 K H H 108.20 5.57 13.50 20.44 91.76 51.27 -63.48 -40.42 3.59 0.02 96.39 0.42 0.23 2.69 95.62 1.01 0.00 0.01 0.00 96 L H H 127.53 1.08 14.40 14.65 91.33 51.72 -65.79 -32.63 12.55 0.04 87.41 0.63 0.63 11.30 86.18 1.19 0.02 0.02 0.02 97 K C T 126.91 2.63 12.72 16.14 93.77 52.54 -85.18 -6.86 71.15 0.12 28.73 1.29 2.87 64.94 29.33 1.43 0.01 0.04 0.10 98 G C T 43.22 4.23 13.18 18.90 98.15 -107.50 80.98 8.82 91.97 0.19 7.84 6.97 6.35 78.50 6.14 1.84 0.00 0.09 0.10 99 R C C 113.19 6.80 11.13 19.39 98.00 122.79 -80.22 -19.46 81.04 2.25 16.72 55.38 11.76 13.15 6.05 11.36 0.00 1.29 1.00 100 W C C 142.48 6.90 12.05 20.04 101.48 63.64 -89.23 -1.44 73.90 6.49 19.61 45.54 13.32 14.61 6.03 14.17 0.02 4.77 1.53 101 F C C 128.00 4.20 12.15 17.86 111.99 120.83 -91.58 119.70 72.77 9.11 18.11 50.36 11.14 10.99 5.86 12.64 0.03 7.11 1.86 102 L C C 103.77 5.78 9.65 16.93 103.58 63.75 -87.58 8.50 75.74 10.21 14.05 50.75 12.18 12.66 5.03 9.25 0.02 8.00 2.11 103 S C C 74.02 4.16 9.29 15.14 116.04 83.77 -101.05 134.93 85.36 7.89 6.75 73.50 3.40 8.51 2.78 3.47 0.00 6.30 2.02 104 H C C 131.38 4.79 10.92 17.28 106.98 -134.87 -90.49 62.77 99.64 0.30 0.06 99.35 0.25 0.14 0.02 0.01 0.00 0.18 0.04