# 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 125.25 4.18 9.77 15.59 115.62 -145.79 -88.59 139.27 99.69 0.18 0.13 99.25 0.33 0.18 0.07 0.02 0.00 0.09 0.06 1 S C C 83.93 2.24 8.71 12.59 113.90 -117.89 -82.25 141.63 92.80 2.23 4.97 88.64 1.42 3.64 2.49 1.49 0.00 1.06 1.26 2 A C C 85.42 2.83 7.62 12.15 111.21 -118.93 -81.76 134.62 85.57 4.75 9.67 58.31 19.23 8.31 4.04 5.24 0.01 2.55 2.31 3 L C C 121.63 2.81 8.94 13.46 114.47 -134.52 -94.53 131.57 83.69 5.79 10.52 62.30 15.01 6.55 3.92 6.36 0.00 3.75 2.11 4 R C C 163.91 3.41 9.09 14.38 114.83 -139.70 -93.83 131.88 81.58 7.83 10.59 66.90 8.57 5.84 4.13 6.45 0.00 5.00 3.10 5 R C C 139.42 5.30 9.24 16.34 119.60 -157.51 -108.41 140.84 83.48 9.02 7.50 66.91 9.46 6.80 2.91 4.51 0.00 6.09 3.31 6 D C C 115.82 2.04 12.72 15.83 115.42 -145.25 -98.05 126.67 81.76 13.85 4.39 63.98 12.12 4.84 1.89 2.63 0.00 8.79 5.75 7 V C C 63.35 10.20 8.02 19.01 123.36 -148.26 -109.14 145.00 84.20 14.34 1.46 67.38 14.76 0.82 1.08 0.48 0.00 6.44 9.04 8 S C C 53.17 3.43 13.21 17.79 117.73 -108.52 -72.03 155.54 97.79 1.63 0.57 95.08 2.68 0.18 0.45 0.09 0.00 0.68 0.84 9 P H H 95.40 3.40 12.13 17.03 92.10 -111.05 -58.14 -36.99 3.77 0.02 96.21 0.61 0.55 2.42 95.86 0.55 0.01 0.01 0.00 10 L H H 107.58 2.00 13.93 16.07 92.01 52.92 -64.74 -40.30 2.17 0.02 97.81 0.20 0.21 1.71 97.21 0.64 0.01 0.01 0.00 11 I H H 75.42 5.04 13.79 20.30 92.35 48.06 -66.34 -40.37 0.70 0.02 99.28 0.09 0.08 0.50 98.70 0.61 0.00 0.02 0.00 12 Q H H 70.49 8.12 13.46 22.89 91.50 52.43 -63.30 -41.41 0.14 0.01 99.85 0.02 0.02 0.09 99.78 0.09 0.00 0.00 0.00 13 R H H 126.45 3.43 16.25 20.43 91.58 50.89 -64.09 -41.58 0.12 0.01 99.87 0.01 0.01 0.09 99.82 0.06 0.00 0.01 0.00 14 I H H 86.02 3.26 17.21 20.67 91.91 49.38 -64.20 -42.34 0.12 0.01 99.87 0.01 0.01 0.10 99.81 0.07 0.00 0.01 0.00 15 R H H 82.29 6.60 15.48 23.64 92.03 50.12 -64.54 -41.45 0.21 0.01 99.78 0.02 0.02 0.18 99.69 0.09 0.00 0.00 0.00 16 A H H 32.01 6.81 13.30 22.34 91.57 50.63 -63.61 -41.48 0.67 0.02 99.31 0.05 0.05 0.59 99.06 0.23 0.00 0.01 0.00 17 F H H 122.02 3.01 14.80 18.53 92.08 49.40 -65.26 -41.20 1.20 0.01 98.79 0.05 0.06 1.21 98.03 0.63 0.01 0.01 0.00 18 L H H 109.96 2.99 13.97 17.90 91.91 49.80 -68.37 -32.33 4.88 0.02 95.10 0.11 0.16 4.99 93.72 0.98 0.02 0.01 0.01 19 L H H 95.91 4.22 12.45 18.07 93.93 47.07 -89.16 -3.16 41.31 0.15 58.54 1.05 2.21 37.67 57.28 1.56 0.07 0.05 0.12 20 G C T 60.51 1.33 13.33 14.90 94.97 -117.67 76.08 14.90 98.52 0.28 1.20 14.75 8.88 75.07 0.64 0.39 0.00 0.17 0.10 21 R C C 117.27 5.56 9.87 17.47 123.52 132.16 -108.95 148.51 95.76 3.61 0.63 79.18 15.16 1.41 0.25 0.37 0.00 1.82 1.80 22 E C C 148.40 1.66 15.22 17.30 113.96 -121.03 -88.82 131.07 94.50 4.92 0.58 90.52 3.18 0.91 0.21 0.29 0.00 3.06 1.84 23 H C C 78.68 14.08 9.01 22.67 117.97 -150.84 -99.29 133.06 89.01 9.10 1.89 82.45 4.43 1.76 0.92 0.88 0.00 4.82 4.75 24 N C C 99.62 3.73 16.21 20.88 113.62 -166.88 -107.02 115.16 88.99 6.32 4.69 69.69 14.28 4.55 2.31 2.50 0.00 3.53 3.14 25 L C C 83.95 10.26 12.50 23.35 102.69 -160.73 -77.59 -5.99 72.31 4.97 22.71 50.29 12.66 8.78 9.23 14.03 0.02 2.69 2.30 26 A H G 59.27 6.33 14.09 21.78 94.85 85.03 -68.36 -22.97 33.38 2.98 63.64 17.79 6.07 9.94 12.74 50.77 0.01 1.97 0.70 27 L H G 81.86 7.59 14.04 22.88 95.58 59.25 -77.32 -15.72 30.26 3.48 66.26 11.98 6.51 12.66 14.26 51.40 0.05 2.33 0.82 28 R H G 93.49 10.92 12.64 24.06 99.14 66.86 -87.32 -8.59 31.60 5.93 62.47 14.20 7.41 12.03 13.46 47.35 0.08 4.01 1.45 29 F C C 82.30 9.96 10.13 21.14 117.99 72.40 -102.31 135.66 56.92 20.08 22.99 31.80 17.67 7.54 11.16 10.86 0.48 8.83 11.65 30 E C T 137.68 2.60 12.24 16.12 104.13 -132.89 -72.96 49.15 70.56 9.09 20.36 11.36 15.23 43.59 8.73 11.08 0.57 5.11 4.32 31 D C T 124.80 1.19 12.17 13.45 98.65 0.97 -76.92 38.20 87.31 0.79 11.90 3.94 12.09 71.43 3.53 8.05 0.01 0.44 0.52 32 G C T 52.77 3.16 12.51 16.89 98.66 -52.82 83.14 2.43 89.99 2.78 7.23 11.36 21.06 57.68 1.57 5.50 0.01 1.77 1.07 33 L C C 81.12 7.59 10.82 19.87 115.31 114.49 -93.61 133.99 67.60 29.81 2.59 48.08 12.72 4.93 1.44 1.33 0.03 12.37 19.10 34 A C C 42.69 10.31 10.29 21.57 119.58 -113.00 -94.32 145.86 82.07 16.00 1.93 63.40 14.85 3.01 0.86 1.20 0.01 10.27 6.41 35 D C C 107.22 2.78 15.01 18.74 110.74 -112.59 -79.17 134.10 88.98 9.08 1.94 74.64 10.22 3.46 0.70 1.32 0.00 5.35 4.31 36 R C C 134.86 7.50 10.11 18.80 111.78 -130.74 -85.89 135.22 94.89 3.52 1.59 56.62 28.67 9.45 0.47 1.13 0.00 1.56 2.09 37 T C C 100.46 3.15 11.71 16.03 106.96 67.83 -91.01 78.67 96.63 2.45 0.91 65.64 23.75 6.95 0.24 0.76 0.00 1.01 1.64 38 Q C C 101.28 5.91 8.78 16.47 118.89 100.50 -90.93 142.69 97.96 1.89 0.15 74.45 23.15 0.37 0.06 0.08 0.00 0.71 1.18 39 P C C 101.89 2.01 12.26 15.16 115.77 -99.64 -65.88 150.66 99.08 0.82 0.10 94.12 4.72 0.22 0.04 0.04 0.00 0.31 0.54 40 Q C C 137.05 2.79 11.09 15.96 112.98 -96.25 -68.33 140.19 99.32 0.62 0.07 97.58 1.67 0.10 0.03 0.02 0.00 0.23 0.38 41 P C C 65.52 10.20 8.17 19.15 115.23 -109.16 -69.02 151.25 98.87 1.00 0.14 96.97 1.69 0.25 0.05 0.05 0.00 0.38 0.60 42 E C C 159.20 0.95 16.04 15.97 111.06 -115.67 -86.28 126.20 93.31 6.52 0.18 85.46 6.39 0.25 0.09 0.07 0.00 1.30 6.45 43 I C C 77.11 12.94 8.03 20.85 117.96 -145.49 -89.82 137.77 98.35 1.52 0.13 89.51 8.58 0.25 0.05 0.06 0.00 0.61 0.93 44 P C C 65.27 5.85 12.02 19.72 115.79 -107.29 -65.31 153.22 99.00 0.64 0.36 92.11 5.28 1.60 0.12 0.18 0.00 0.29 0.43 45 D C C 122.56 1.53 13.70 15.71 113.02 -105.17 -77.52 141.26 97.07 2.05 0.88 70.59 23.28 2.39 0.37 0.46 0.00 0.60 2.30 46 G C S 35.99 5.68 11.59 18.70 129.36 54.14 108.08 -169.32 67.81 1.65 30.53 23.67 28.46 16.58 10.25 18.94 0.03 0.63 1.43 47 P C G 95.78 3.46 13.33 17.53 94.41 -29.34 -68.07 -20.47 50.26 0.60 49.14 6.40 7.14 35.17 13.47 37.05 0.04 0.32 0.41 48 S H G 54.18 7.13 11.69 20.24 94.08 64.15 -78.04 -14.75 41.93 1.12 56.95 8.45 6.02 26.22 16.24 41.77 0.07 0.59 0.63 49 H H G 83.94 9.33 11.05 21.40 95.81 77.23 -71.61 -20.31 44.05 2.46 53.49 21.10 8.64 14.42 22.96 30.43 0.05 1.28 1.12 50 L C T 110.19 3.17 14.18 17.99 98.03 63.35 -78.32 -23.75 53.02 3.65 43.33 18.39 11.71 22.96 21.05 22.02 0.18 1.80 1.89 51 L C T 96.62 4.85 12.67 18.67 99.27 57.92 -77.33 -27.34 55.12 7.54 37.34 16.75 18.84 20.49 18.64 16.59 0.50 2.94 5.25 52 S C T 61.13 6.35 12.07 19.56 99.64 49.32 -82.58 -12.64 66.64 1.87 31.49 9.34 11.15 44.63 12.45 20.11 0.11 1.00 1.21 53 A C T 76.69 3.82 14.95 19.67 97.34 -111.74 30.51 11.27 73.07 1.73 25.20 13.66 12.34 46.46 7.61 18.00 0.04 0.94 0.95 54 N C C 53.61 9.12 11.27 22.07 107.16 131.94 -91.20 100.01 76.67 7.16 16.17 53.32 14.70 7.62 9.23 7.08 0.02 3.09 4.92 55 Y C H 114.63 6.01 14.82 22.18 96.14 76.32 -73.75 -26.96 49.89 7.59 42.52 24.32 11.78 15.71 29.25 10.04 0.69 3.16 5.06 56 Y H H 107.33 8.97 12.76 22.58 93.71 61.41 -70.05 -29.98 40.37 1.14 58.48 3.43 4.81 29.56 36.79 23.42 0.64 0.62 0.72 57 C H H 74.85 5.80 13.30 20.22 98.01 45.85 -86.28 -24.03 39.09 1.04 59.88 3.01 4.45 29.07 37.92 23.73 0.65 0.58 0.59 58 Q H H 122.34 2.53 15.25 18.13 99.76 41.24 -98.41 -5.67 43.68 2.16 54.16 7.66 8.88 25.92 34.30 20.14 0.69 1.10 1.31 59 R C C 102.69 8.51 10.39 20.23 118.64 90.04 -91.99 145.32 79.72 7.99 12.29 40.16 28.98 10.68 8.14 3.44 0.10 2.58 5.92 60 D C C 63.82 6.63 12.82 21.21 113.72 -148.77 -104.53 118.19 92.85 4.55 2.60 79.89 9.71 2.58 1.48 1.02 0.00 1.76 3.55 61 G H G 35.64 7.86 12.31 21.94 93.26 -153.12 -65.88 -25.05 44.61 1.59 53.80 13.92 8.66 22.40 17.42 35.83 0.09 0.82 0.85 62 R H G 130.47 6.28 12.71 20.10 92.33 65.44 -70.21 -23.47 34.97 0.97 64.06 5.04 5.42 22.88 20.66 44.91 0.10 0.55 0.44 63 R H G 146.20 4.18 12.91 18.39 94.43 58.42 -76.91 -12.76 32.75 2.33 64.92 8.74 6.58 17.62 21.58 43.11 0.13 1.47 0.77 64 E H G 124.61 3.46 13.13 17.65 96.73 62.35 -88.27 -6.76 44.70 7.61 47.69 19.70 10.94 15.95 19.13 26.78 0.36 4.44 2.69 65 V C C 67.66 8.50 8.62 18.51 119.14 90.16 -98.25 138.65 75.47 14.23 10.30 44.68 25.52 5.08 6.84 3.17 0.09 5.07 9.55 66 L C C 124.04 2.27 13.13 16.64 117.46 -128.04 -92.66 137.93 93.36 6.00 0.65 62.64 30.36 0.83 0.39 0.26 0.00 3.03 2.49 67 P C C 86.19 5.12 11.04 17.82 116.42 -95.15 -67.44 148.71 98.25 1.11 0.64 89.51 8.00 0.88 0.39 0.19 0.00 0.59 0.44 68 P C C 82.17 6.77 10.34 18.76 112.59 -101.44 -66.20 143.85 91.90 2.63 5.48 80.75 7.56 3.59 3.93 1.50 0.00 1.49 1.17 69 I C C 105.60 4.85 11.34 17.89 115.90 -144.98 -100.10 135.22 56.53 30.53 12.94 41.85 10.74 3.53 10.99 3.12 0.17 19.72 9.87 70 D C C 92.49 3.90 11.90 17.28 110.52 -127.89 -86.66 120.34 48.76 34.54 16.70 40.90 4.10 2.67 15.06 3.13 0.04 29.18 4.94 71 L H H 89.00 5.80 10.80 18.17 98.20 -164.02 -76.10 -29.06 41.21 15.75 43.04 33.11 4.47 3.99 37.86 4.39 0.04 14.70 1.43 72 V H H 82.31 4.03 11.63 17.04 94.66 61.34 -68.03 -39.28 28.21 10.13 61.66 20.73 4.24 4.82 53.81 5.77 0.06 9.57 1.01 73 E H H 120.18 1.84 13.54 15.55 93.43 52.56 -66.43 -39.01 24.66 5.54 69.80 16.66 4.36 5.68 60.49 7.06 0.07 4.91 0.77 74 Q H H 96.48 3.56 12.88 17.67 93.84 51.01 -68.91 -36.95 24.82 3.12 72.06 16.61 4.25 6.03 63.47 6.52 0.05 2.51 0.57 75 Q H H 84.90 6.31 11.51 19.36 94.05 55.72 -67.24 -37.60 22.61 2.47 74.92 15.53 3.95 5.29 67.71 5.12 0.04 1.90 0.47 76 K H H 127.69 2.42 13.64 16.77 93.04 54.81 -66.29 -37.63 22.06 3.63 74.32 15.25 3.47 5.38 67.30 4.94 0.05 3.02 0.59 77 Q H H 108.61 2.23 13.64 16.24 93.63 52.68 -68.15 -37.87 21.21 4.70 74.08 14.31 3.57 5.51 66.88 4.97 0.07 3.96 0.74 78 L H H 83.53 4.73 11.31 17.72 94.37 53.99 -68.78 -36.43 23.98 4.71 71.31 15.74 4.13 6.40 64.61 4.50 0.08 3.64 0.89 79 A H H 63.23 3.86 11.52 16.85 95.30 54.13 -69.32 -33.41 33.27 3.17 63.56 20.02 5.31 9.66 58.51 3.55 0.07 2.03 0.85 80 A H H 77.96 2.09 10.68 13.69 97.39 57.19 -75.55 -24.01 48.49 2.34 49.17 23.63 8.68 17.88 43.79 3.83 0.09 1.21 0.89 81 E C T 140.50 1.78 10.43 13.11 100.72 58.93 -81.27 -8.60 65.90 1.87 32.24 23.20 14.48 28.85 27.05 4.59 0.10 0.86 0.87 82 G C C 51.92 2.88 10.28 14.50 107.48 -37.84 17.14 -1.53 79.56 2.05 18.38 32.91 18.84 28.73 12.45 5.12 0.02 0.98 0.96 83 E C C 138.94 2.34 10.32 13.99 106.96 73.25 -84.83 70.79 82.93 3.55 13.52 56.06 13.82 12.82 8.63 5.06 0.01 1.95 1.66 84 A C C 74.94 3.97 9.12 14.78 108.40 74.55 -85.27 102.82 86.26 4.24 9.50 70.81 8.19 7.11 5.81 3.70 0.00 2.80 1.58 85 A C C 75.17 3.90 9.53 15.14 108.80 -130.83 -83.58 105.72 87.03 6.33 6.63 74.63 7.17 5.04 3.71 2.88 0.00 4.65 1.92 86 K C C 155.18 1.91 11.01 14.24 111.95 -118.87 -89.79 124.80 85.06 10.63 4.31 72.26 8.56 3.60 2.48 1.95 0.00 7.04 4.10 87 A C C 67.58 5.40 8.44 15.65 116.54 -127.03 -88.20 139.77 91.65 6.84 1.51 82.06 8.41 1.24 0.89 0.62 0.00 5.08 1.70 88 P C C 97.16 3.26 9.92 14.90 111.42 -108.42 -70.53 147.84 90.28 6.38 3.34 81.94 5.26 3.07 1.38 1.81 0.00 4.62 1.92 89 S C C 84.31 2.96 9.35 14.09 110.98 -120.62 -84.23 136.29 89.13 6.55 4.32 71.46 11.56 5.72 1.40 3.01 0.00 4.16 2.67 90 S C C 85.79 2.88 9.29 13.94 108.35 -141.47 -88.43 82.11 91.14 5.21 3.66 66.03 19.06 5.95 1.07 2.69 0.00 3.27 1.93 91 K C C 147.93 2.46 10.50 14.52 114.89 -148.58 -95.73 130.90 93.46 4.80 1.74 70.97 20.15 2.35 0.60 1.14 0.00 2.61 2.18 92 L C C 104.35 5.46 9.83 17.02 115.92 -116.28 -81.47 139.46 97.52 2.27 0.21 88.91 8.39 0.39 0.08 0.11 0.00 1.38 0.74 93 P C C 86.13 6.08 10.71 18.33 112.06 -107.20 -69.07 142.46 94.98 4.66 0.36 87.73 6.40 0.78 0.13 0.22 0.00 2.25 2.49 94 T C C 94.00 4.01 11.82 17.70 118.87 -142.78 -103.63 133.80 90.19 9.53 0.28 78.58 10.69 0.62 0.13 0.16 0.00 4.06 5.76 95 P C C 90.17 5.82 10.30 17.63 113.92 -103.82 -68.40 149.38 92.99 5.81 1.20 61.52 22.04 9.51 0.28 1.00 0.00 3.26 2.38 96 G C C 47.18 4.25 10.51 16.20 122.43 -108.30 -87.17 173.87 93.49 4.90 1.61 52.52 31.27 9.76 0.35 1.32 0.00 2.52 2.25 97 K C C 158.74 1.61 12.80 15.04 114.08 -73.92 -81.71 138.72 91.91 6.34 1.76 72.36 15.78 3.34 0.51 1.34 0.00 3.75 2.93 98 V C C 104.71 4.72 8.87 15.50 113.93 -124.25 -84.65 135.73 88.62 9.01 2.37 75.06 8.90 3.89 0.71 1.78 0.00 5.41 4.25 99 Y C C 141.22 5.16 7.74 14.65 113.32 -124.47 -85.88 132.27 89.60 7.69 2.71 75.61 8.49 4.77 0.75 2.09 0.00 4.98 3.31 100 A C C 91.40 1.36 9.88 12.27 111.05 -148.41 -94.17 116.86 91.92 5.40 2.67 80.62 6.22 4.72 0.73 1.91 0.00 3.61 2.20 101 W C C 171.49 4.20 6.40 12.30 104.67 -143.48 -87.34 16.31 95.29 1.98 2.73 88.43 2.15 5.21 0.85 1.38 0.00 1.19 0.79 102 D C C 119.22 1.43 10.42 12.73 104.68 72.80 -85.14 62.81 99.61 0.22 0.17 98.51 0.60 0.58 0.07 0.05 0.00 0.14 0.06