# 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 97.70 7.77 10.64 19.69 118.42 -158.48 -95.57 137.08 99.95 0.05 0.01 99.81 0.13 0.02 0.00 0.00 0.00 0.02 0.01 1 P C C 94.58 3.06 10.25 14.98 113.43 -108.57 -70.62 148.72 94.86 1.00 4.14 91.88 0.65 3.28 2.04 1.19 0.00 0.47 0.50 2 K C C 151.01 2.72 8.38 12.95 110.53 -110.70 -78.33 135.24 87.50 2.99 9.51 67.95 11.45 7.96 4.76 4.63 0.00 1.55 1.69 3 K C C 141.33 3.19 8.27 13.33 113.25 -133.62 -91.38 132.66 80.98 3.55 15.47 57.61 13.68 9.40 7.41 8.21 0.00 2.03 1.65 4 E C C 136.05 3.04 8.92 13.84 111.92 -140.39 -89.38 129.78 79.93 3.58 16.49 57.53 13.06 9.02 8.59 8.13 0.00 2.15 1.52 5 R C C 157.39 3.24 9.36 14.50 115.56 -149.25 -95.38 132.89 80.67 3.89 15.44 58.56 14.75 7.17 9.42 6.15 0.00 2.40 1.54 6 K C C 133.95 4.35 9.44 15.74 113.88 -138.13 -90.14 128.63 83.25 4.33 12.42 66.53 10.55 5.78 8.55 4.11 0.00 2.78 1.70 7 V C C 95.75 4.78 9.41 16.03 116.15 -156.41 -100.41 133.01 84.92 4.02 11.07 68.65 10.02 5.82 7.90 3.41 0.00 2.46 1.73 8 E C C 140.49 2.87 10.53 15.06 111.27 -131.37 -86.55 130.76 84.17 2.84 13.00 56.19 14.08 13.84 7.90 5.07 0.00 1.70 1.21 9 G C C 48.71 4.03 11.45 16.92 113.65 12.17 92.45 -8.56 84.17 2.09 13.74 43.54 20.77 20.40 5.69 7.57 0.00 1.19 0.85 10 D C C 97.47 5.40 11.38 18.27 109.62 -81.58 -88.22 120.25 79.60 4.48 15.92 49.73 18.28 12.02 6.35 9.26 0.00 3.03 1.31 11 E C C 111.60 5.93 12.86 20.24 114.21 -139.60 -92.72 130.63 72.44 13.14 14.42 53.30 12.48 6.73 6.81 7.56 0.01 10.74 2.38 12 V C C 74.29 10.66 12.13 23.42 114.73 -140.97 -96.97 127.17 68.45 23.05 8.50 57.43 7.15 3.37 5.10 3.55 0.01 19.75 3.64 13 I C C 77.15 9.93 14.54 25.43 118.06 -165.73 -110.23 132.18 70.70 24.20 5.10 59.81 7.37 3.03 3.03 2.13 0.00 21.81 2.81 14 R C C 142.13 6.08 18.14 25.27 114.09 -142.19 -94.80 123.35 75.15 22.53 2.33 60.13 12.09 2.56 1.15 1.25 0.00 20.22 2.61 15 V C C 28.44 19.18 12.58 31.20 119.59 -159.86 -108.68 127.53 84.41 15.35 0.24 72.12 11.74 0.44 0.10 0.14 0.00 13.86 1.61 16 P C C 67.12 7.23 21.96 29.48 115.11 -117.89 -69.86 146.50 86.84 12.93 0.22 83.25 3.72 0.38 0.09 0.13 0.00 9.83 2.61 17 L C C 67.66 15.36 17.24 31.94 118.23 -116.48 -83.09 142.54 97.67 2.26 0.07 91.50 6.28 0.19 0.02 0.04 0.00 1.34 0.64 18 P C C 25.91 20.31 11.35 31.08 115.61 -104.99 -66.30 146.49 98.73 1.11 0.16 95.08 3.34 0.44 0.04 0.08 0.00 0.57 0.45 19 E C C 131.57 2.71 17.35 21.24 124.20 -163.31 -122.71 146.08 97.06 2.62 0.31 89.43 6.17 0.72 0.10 0.17 0.00 0.74 2.66 20 G C T 58.22 1.29 16.64 17.43 110.17 -29.08 63.42 -135.51 98.62 0.76 0.61 2.51 14.28 81.84 0.06 0.56 0.00 0.51 0.23 21 N C T 104.73 6.90 15.80 23.83 97.67 -14.58 -90.83 13.96 98.46 1.09 0.44 4.63 11.93 81.85 0.03 0.48 0.00 0.98 0.09 22 Q C C 53.53 13.88 16.04 30.54 121.66 113.36 -93.64 143.25 54.78 44.96 0.26 42.81 11.62 0.72 0.05 0.25 0.00 41.86 2.69 23 L E E 21.81 18.40 20.57 38.90 125.57 -164.42 -119.89 142.39 18.15 81.83 0.02 16.98 0.63 0.05 0.01 0.01 0.00 81.94 0.38 24 F E E 44.18 15.29 25.81 40.91 116.91 -133.18 -90.27 133.48 6.77 93.22 0.01 5.85 0.49 0.04 0.00 0.01 0.00 93.50 0.11 25 G E E 1.81 23.21 22.16 45.31 143.25 151.94 -157.18 173.66 2.27 97.73 0.00 1.81 0.21 0.01 0.00 0.00 0.00 97.93 0.03 26 V E E 33.95 11.68 27.14 40.29 122.57 -103.01 -115.81 137.16 0.49 99.51 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.54 0.01 27 V E E 7.01 24.10 16.42 41.59 109.06 -116.51 -74.91 124.52 0.30 99.69 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.01 28 E E E 78.82 8.21 22.43 31.38 100.69 174.35 -96.96 -31.54 0.79 99.20 0.00 0.57 0.10 0.00 0.00 0.00 0.00 99.33 0.01 29 Q E E 91.05 4.03 24.51 28.92 136.82 1.42 -150.79 148.51 0.80 99.19 0.00 0.58 0.11 0.01 0.00 0.00 0.00 99.30 0.01 30 A E E 51.39 15.25 13.54 28.29 111.58 -120.91 -82.89 123.80 4.18 95.80 0.02 3.80 0.19 0.02 0.00 0.01 0.00 95.91 0.07 31 L E E 74.32 8.46 15.65 25.46 101.77 -162.92 -101.43 -6.96 26.39 73.37 0.23 20.31 5.49 0.92 0.04 0.20 0.00 72.38 0.65 32 G E E 39.87 3.18 17.34 21.07 127.03 -81.47 106.27 173.58 36.34 61.74 1.92 4.23 20.60 15.99 0.10 2.07 0.01 54.76 2.24 33 A C T 91.35 2.21 17.17 19.73 97.16 -0.74 51.65 32.22 97.81 0.37 1.82 0.44 10.72 86.42 0.02 2.10 0.00 0.22 0.08 34 G C T 26.50 13.32 14.80 28.15 96.09 -43.28 82.74 6.41 98.89 0.35 0.77 0.64 11.84 86.26 0.01 0.97 0.00 0.25 0.04 35 W E E 83.39 10.26 20.54 31.87 126.78 107.92 -114.96 143.09 3.46 96.54 0.00 2.90 0.28 0.01 0.00 0.00 0.00 96.61 0.19 36 M E E 7.48 22.70 16.50 39.69 131.21 -174.15 -130.62 149.24 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 37 D E E 33.80 9.93 26.08 37.36 116.52 -135.60 -98.83 131.22 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 38 V E E 2.58 25.85 16.92 43.88 126.37 -170.48 -122.72 139.16 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 39 R E E 85.21 7.94 25.19 33.72 115.94 -148.46 -106.35 125.43 0.06 99.94 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 40 C E E 7.47 20.92 13.02 34.33 123.54 -147.36 -87.33 165.23 21.02 78.97 0.02 21.37 0.23 0.02 0.00 0.01 0.00 77.85 0.51 41 E C T 107.88 8.56 15.97 25.61 91.21 -101.18 -62.76 -22.97 99.30 0.32 0.39 0.29 3.03 96.07 0.01 0.33 0.00 0.23 0.04 42 D C T 91.15 3.96 15.25 20.39 92.42 58.20 -87.29 1.75 99.48 0.10 0.42 0.22 3.41 95.89 0.01 0.38 0.00 0.06 0.02 43 G C S 48.76 3.36 15.12 19.57 96.47 -101.06 87.44 5.38 99.35 0.31 0.34 13.08 85.17 1.25 0.03 0.21 0.00 0.14 0.12 44 K C C 92.15 6.53 15.26 23.57 117.97 136.57 -79.01 144.27 97.44 2.53 0.03 96.43 1.39 0.08 0.01 0.01 0.00 1.79 0.29 45 I E E 84.90 10.42 17.54 28.80 119.91 -141.43 -106.72 132.71 2.59 97.40 0.01 2.63 0.08 0.00 0.00 0.00 0.00 97.04 0.23 46 R E E 34.20 18.47 17.26 35.70 129.05 -173.86 -126.85 144.94 0.34 99.66 0.00 0.31 0.02 0.00 0.00 0.00 0.00 99.66 0.00 47 R E E 96.80 10.16 24.30 34.65 116.99 -134.58 -99.67 130.09 0.25 99.74 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 48 C E E 4.67 24.46 17.23 41.94 130.28 -174.77 -126.92 149.35 0.90 99.10 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.12 0.01 49 R E E 93.97 9.64 26.45 36.57 119.64 -144.12 -108.16 131.76 3.65 96.34 0.01 3.43 0.16 0.01 0.00 0.00 0.00 96.11 0.27 50 I C C 10.12 23.81 15.81 39.93 116.22 -146.35 -100.05 127.07 56.57 43.33 0.10 54.00 1.47 0.11 0.03 0.05 0.00 43.72 0.62 51 P C C 35.86 9.63 19.36 30.58 112.87 -113.63 -67.42 146.46 82.00 14.30 3.69 73.90 5.12 2.57 1.19 2.18 0.00 13.71 1.34 52 G H G 37.09 8.78 15.27 25.05 93.67 -124.37 -62.54 -34.01 48.69 1.91 49.40 19.56 11.78 18.35 11.11 37.35 0.04 1.00 0.81 53 K H G 137.65 2.49 16.85 19.65 92.88 61.73 -68.54 -21.84 42.71 2.00 55.30 14.78 9.27 19.58 14.76 39.63 0.05 1.07 0.86 54 L H G 48.61 14.39 11.17 25.55 95.87 63.56 -83.21 -6.42 41.48 2.55 55.97 19.72 9.39 13.73 16.04 38.70 0.04 1.34 1.06 55 R C C 115.37 11.18 12.42 23.85 98.10 86.97 -71.12 -26.34 66.16 2.34 31.49 26.64 16.10 24.37 15.07 15.25 0.06 1.04 1.47 56 R C T 173.44 2.03 16.17 18.49 95.54 37.11 -74.31 -11.02 78.33 1.30 20.37 21.46 21.95 35.51 7.74 11.88 0.01 0.63 0.80 57 R C C 135.34 5.01 16.22 22.16 101.99 49.14 -94.98 -19.97 82.31 3.70 13.99 39.07 23.02 20.87 4.80 8.55 0.02 1.78 1.89 58 V C C 33.78 17.85 13.01 30.38 120.92 41.33 -116.26 134.04 90.68 5.75 3.58 69.80 16.16 4.50 1.53 2.13 0.00 3.28 2.61 59 W C C 119.24 8.13 24.01 32.25 113.70 -147.33 -96.66 127.34 90.31 8.07 1.62 81.93 6.15 2.20 0.64 0.94 0.00 4.96 3.17 60 I C C 7.29 25.67 13.15 39.13 119.46 -160.66 -108.96 132.57 87.45 12.38 0.17 86.00 2.35 0.14 0.09 0.06 0.00 4.91 6.44 61 R C C 110.42 5.12 25.06 30.56 130.20 -168.01 -119.29 156.25 98.27 1.69 0.04 97.83 0.69 0.03 0.02 0.01 0.00 0.55 0.86 62 V C T 80.54 11.34 16.61 28.32 109.67 -81.89 -59.75 135.21 99.64 0.24 0.12 0.23 1.54 98.01 0.01 0.05 0.00 0.11 0.06 63 G C T 36.56 5.96 20.93 28.04 96.72 26.05 89.90 -7.20 99.91 0.04 0.04 0.23 1.49 98.22 0.00 0.03 0.00 0.03 0.00 64 D C C 23.70 15.98 18.58 35.47 118.57 132.17 -71.79 147.97 97.26 2.73 0.00 95.76 1.74 0.02 0.00 0.00 0.00 2.37 0.11 65 L E E 34.02 14.99 25.22 40.44 117.23 -126.10 -93.05 132.08 1.31 98.69 0.00 1.42 0.02 0.00 0.00 0.00 0.00 98.32 0.23 66 V E E 1.68 26.52 20.83 48.03 131.54 -175.49 -129.29 149.60 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 67 I E E 17.24 16.31 27.65 44.64 116.46 -136.39 -102.66 128.96 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 68 V E E 1.84 26.90 20.63 48.46 120.55 -164.25 -113.84 130.12 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 69 Q E E 54.85 11.43 26.97 38.71 127.55 -174.54 -127.58 139.04 1.35 98.65 0.00 1.20 0.03 0.00 0.00 0.00 0.00 98.75 0.01 70 P E E 32.17 17.49 18.40 35.60 115.36 -108.28 -67.05 146.63 10.37 89.61 0.02 9.51 0.51 0.03 0.00 0.01 0.00 89.62 0.31 71 W C C 43.16 15.70 14.14 30.59 115.82 -117.19 -82.34 139.67 78.21 20.68 1.11 73.54 3.54 0.83 0.31 0.66 0.00 19.38 1.75 72 P C T 99.17 3.45 16.89 21.32 94.15 -122.38 -64.95 -26.69 80.02 3.21 16.76 13.07 29.73 37.77 1.93 14.34 0.02 2.11 1.04 73 V C T 98.47 3.85 14.36 19.07 98.01 52.99 -84.38 -22.15 80.45 2.47 17.08 8.28 28.26 44.70 1.98 14.17 0.03 1.41 1.18 74 Q C C 73.18 9.72 10.21 20.92 110.88 41.59 -116.47 89.92 76.99 6.54 16.46 33.07 21.11 23.51 2.07 14.36 0.01 3.53 2.35 75 S C T 75.54 4.38 12.48 18.62 97.31 -167.36 -66.78 -26.66 86.73 4.00 9.27 31.60 17.73 37.50 1.17 8.36 0.00 2.46 1.18 76 D C T 108.06 3.49 14.97 19.15 96.01 48.16 -84.84 -3.91 87.19 2.59 10.22 13.16 30.15 43.87 0.86 9.52 0.00 1.67 0.76 77 K C C 100.81 9.08 16.00 25.55 104.74 63.52 -95.25 15.96 77.85 13.40 8.75 32.44 24.22 22.53 0.89 7.68 0.01 10.76 1.46 78 R C C 99.93 10.09 20.64 30.88 124.99 71.53 -109.38 144.16 61.49 37.56 0.95 47.47 11.08 2.42 0.23 0.80 0.00 36.04 1.97 79 G E E 4.57 22.13 17.13 38.95 135.34 -167.45 -136.17 161.18 22.83 77.03 0.14 18.19 4.25 0.60 0.03 0.12 0.00 76.17 0.65 80 D E E 39.00 11.67 26.67 39.14 125.29 -128.47 -119.63 142.58 2.85 97.14 0.01 2.52 0.20 0.01 0.00 0.00 0.00 97.08 0.18 81 I E E 12.40 23.76 18.38 42.61 109.90 -118.00 -79.15 124.26 0.38 99.62 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.60 0.02 82 V E E 40.72 12.90 23.29 36.55 101.59 174.72 -98.86 -31.48 0.63 99.37 0.00 0.47 0.06 0.00 0.00 0.00 0.00 99.46 0.01 83 Y E E 57.10 13.09 24.43 37.62 139.22 2.17 -152.26 148.54 0.48 99.52 0.00 0.39 0.03 0.00 0.00 0.00 0.00 99.57 0.01 84 R E E 73.82 17.68 20.92 37.23 119.23 -152.81 -111.03 127.66 2.49 97.51 0.00 2.36 0.07 0.00 0.00 0.00 0.00 97.44 0.12 85 Y E E 20.04 21.29 15.33 36.62 119.75 -147.34 -97.18 138.96 30.78 69.21 0.01 30.76 0.59 0.02 0.00 0.01 0.00 67.29 1.33 86 T C C 56.39 6.08 21.89 28.17 123.09 -135.55 -84.65 164.86 90.76 9.20 0.04 90.55 0.64 0.03 0.02 0.01 0.00 8.45 0.28 87 Q H H 109.13 7.49 15.79 24.69 91.69 -100.97 -57.94 -38.62 2.21 0.00 97.79 0.26 0.25 1.47 97.40 0.61 0.00 0.00 0.00 88 T H H 85.72 1.98 20.43 21.09 91.90 52.43 -64.79 -40.13 1.45 0.00 98.54 0.16 0.10 1.05 98.02 0.67 0.00 0.00 0.00 89 Q H H 39.41 14.55 17.39 32.14 92.33 49.00 -66.42 -40.02 0.56 0.00 99.43 0.12 0.04 0.32 98.98 0.54 0.00 0.00 0.00 90 V H H 11.34 20.27 14.85 35.26 91.86 51.13 -63.29 -42.81 0.16 0.00 99.84 0.03 0.01 0.07 99.86 0.03 0.00 0.00 0.00 91 D H H 79.21 2.93 22.38 24.63 91.59 50.90 -63.52 -41.04 0.13 0.00 99.87 0.02 0.01 0.06 99.90 0.01 0.00 0.00 0.00 92 W H H 89.23 5.62 20.20 26.72 91.66 50.21 -63.82 -42.68 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 93 L H H 8.44 19.74 14.41 34.84 91.74 49.59 -64.12 -42.51 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 94 L H H 60.86 11.86 15.23 27.61 91.90 50.31 -63.48 -41.31 0.28 0.00 99.72 0.01 0.01 0.22 99.70 0.06 0.00 0.00 0.00 95 R H H 177.66 1.05 17.72 17.71 90.87 52.07 -64.32 -32.53 3.04 0.00 96.96 0.04 0.05 3.18 96.60 0.13 0.00 0.00 0.00 96 K C T 110.44 5.41 14.41 21.27 92.41 52.70 -86.28 -3.07 83.99 0.01 16.00 0.11 0.45 83.02 16.20 0.22 0.00 0.00 0.01 97 G C T 50.36 3.53 16.73 21.36 94.61 -111.08 80.53 13.67 99.86 0.00 0.14 0.16 0.63 99.14 0.05 0.01 0.00 0.00 0.00 98 K C S 63.50 12.89 16.34 29.85 95.45 123.04 -80.15 -25.83 99.42 0.52 0.06 16.92 81.95 0.67 0.02 0.02 0.00 0.16 0.25 99 I C S 8.57 23.41 11.50 34.90 129.62 31.61 -129.19 145.08 98.71 1.20 0.09 12.93 85.69 0.39 0.04 0.02 0.00 0.34 0.59 100 T C C 64.12 4.60 21.78 26.19 120.82 -118.82 -80.57 159.30 99.34 0.42 0.24 98.07 1.26 0.16 0.12 0.05 0.00 0.13 0.21 101 Q H G 108.09 9.38 14.42 24.83 91.47 -110.19 -59.08 -34.44 23.53 0.46 76.01 3.99 3.88 14.05 36.04 41.51 0.07 0.24 0.22 102 E H G 122.86 2.84 19.08 22.29 91.34 61.39 -65.51 -29.88 18.06 0.73 81.21 3.06 2.46 11.03 38.70 44.00 0.09 0.47 0.19 103 F H G 46.09 16.00 14.93 30.83 93.44 52.28 -76.60 -25.92 14.98 1.16 83.85 4.48 2.57 7.32 41.88 42.65 0.05 0.85 0.21 104 L H H 30.80 19.63 13.61 32.25 98.57 58.69 -79.50 -18.15 33.91 5.88 60.21 14.41 8.06 13.28 39.25 18.86 0.60 3.54 2.00 105 T C T 79.50 5.84 18.63 24.98 102.71 61.15 -90.53 17.26 58.92 7.14 33.94 15.80 14.32 29.33 24.97 7.91 0.72 3.99 2.96 106 G C T 44.65 7.01 16.17 23.94 102.62 -67.19 73.76 5.15 83.39 2.18 14.43 20.70 18.37 44.84 8.58 5.35 0.03 1.19 0.95 107 G C C 36.08 10.69 14.47 25.33 105.63 -112.89 64.30 -1.28 84.28 3.18 12.53 38.57 22.02 24.73 3.76 7.98 0.01 1.76 1.18 108 S C C 64.72 6.76 16.64 24.39 109.79 122.56 -87.43 117.90 73.74 10.03 16.23 46.35 16.24 11.92 5.01 10.96 0.02 7.15 2.35 109 L C C 68.51 12.43 14.17 26.77 111.25 63.73 -91.52 123.05 61.40 19.70 18.90 39.81 12.25 10.65 6.20 12.18 0.05 15.82 3.04 110 L C C 70.58 11.83 13.85 26.01 109.22 -154.62 -90.80 106.40 56.09 25.47 18.44 33.22 12.86 12.04 8.00 10.06 0.15 19.85 3.82 111 V C C 73.16 9.55 11.69 22.23 112.37 61.61 -100.63 115.32 66.53 21.78 11.69 54.93 2.81 8.51 5.85 4.98 0.01 18.35 4.56 112 E C C 123.93 4.92 14.58 20.97 109.24 -140.18 -86.23 108.88 99.46 0.51 0.03 99.39 0.12 0.06 0.02 0.00 0.00 0.38 0.03