# 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 126.56 4.01 15.09 20.27 111.00 -141.37 -88.03 118.05 99.95 0.05 0.01 99.87 0.07 0.02 0.00 0.00 0.00 0.02 0.00 1 A C C 48.92 10.58 11.92 23.37 117.36 -138.20 -88.04 142.22 95.10 4.72 0.18 93.82 0.52 0.93 0.03 0.09 0.00 4.31 0.31 2 M C C 78.25 9.89 15.67 26.59 114.67 -142.25 -97.90 129.11 69.09 30.70 0.22 55.45 10.04 1.36 0.03 0.22 0.00 32.41 0.48 3 Y E E 84.93 11.82 18.77 30.90 125.44 -158.05 -116.27 142.72 10.63 89.36 0.02 9.40 0.77 0.05 0.00 0.01 0.00 89.60 0.16 4 V E E 8.11 21.87 16.89 39.28 125.61 -166.34 -120.95 139.46 0.81 99.19 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.21 0.01 5 K E E 69.91 9.79 25.45 35.82 117.33 -141.61 -101.26 128.51 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 6 L E E 4.18 25.07 17.44 43.24 124.46 -169.03 -117.73 136.54 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 7 I E E 40.57 9.65 24.48 35.42 117.03 -151.12 -107.31 126.31 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.67 0.04 8 S C C 7.42 19.51 14.11 34.32 124.58 -141.48 -85.23 169.17 74.03 25.95 0.02 74.40 0.30 0.03 0.00 0.01 0.00 24.64 0.61 9 S C T 64.67 8.90 15.79 25.87 90.26 -98.48 -63.35 -22.63 99.45 0.16 0.40 0.24 3.41 95.87 0.01 0.35 0.00 0.10 0.02 10 D C T 90.92 4.20 15.77 21.08 92.50 58.95 -87.36 1.64 99.55 0.05 0.40 0.17 3.28 96.14 0.01 0.35 0.00 0.02 0.01 11 G C S 46.17 4.04 15.91 21.13 96.92 -102.34 89.49 5.79 99.48 0.29 0.23 14.21 84.51 0.88 0.02 0.14 0.00 0.11 0.11 12 H C C 73.28 9.00 14.99 25.68 117.74 138.68 -78.10 141.70 97.29 2.69 0.02 96.70 1.07 0.05 0.00 0.01 0.00 1.78 0.40 13 E E E 95.23 10.75 17.91 29.46 123.01 -152.20 -115.35 135.09 0.91 99.09 0.00 0.90 0.02 0.00 0.00 0.00 0.00 98.88 0.19 14 F E E 26.45 18.74 17.91 36.80 130.60 -174.96 -131.50 145.67 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 15 I E E 63.54 10.85 24.65 35.76 116.75 -140.51 -101.50 126.19 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 16 V E E 4.81 24.69 15.80 41.20 125.34 -172.38 -121.62 139.56 0.34 99.66 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.01 17 K E E 83.08 7.07 24.76 32.11 112.40 -119.66 -74.10 137.25 6.56 93.43 0.01 6.69 0.09 0.00 0.00 0.00 0.00 93.02 0.19 18 R H H 78.74 17.86 15.01 32.11 91.82 -127.95 -57.67 -39.00 4.48 0.06 95.46 0.59 0.50 3.30 78.77 16.76 0.02 0.05 0.01 19 E H H 121.14 2.89 22.96 25.81 91.29 56.91 -63.54 -37.00 2.06 0.01 97.93 0.17 0.16 1.61 82.73 15.31 0.00 0.01 0.00 20 H H H 51.02 12.39 20.19 32.94 92.42 49.45 -67.98 -38.71 1.24 0.01 98.76 0.11 0.10 0.91 84.21 14.65 0.00 0.00 0.00 21 A H H 2.78 25.36 14.37 40.01 91.67 53.50 -65.56 -37.26 4.15 0.03 95.82 0.43 0.36 3.02 83.72 12.43 0.01 0.02 0.01 22 L H H 68.92 11.66 19.11 31.05 91.74 56.31 -74.86 -17.66 44.38 0.12 55.50 1.72 1.80 40.90 46.75 8.64 0.04 0.06 0.09 23 T C T 84.07 4.94 20.60 25.88 94.77 62.29 -85.55 -9.91 67.76 0.24 31.99 3.66 5.97 57.54 25.80 6.71 0.03 0.10 0.18 24 S C C 25.38 16.91 11.57 28.28 116.44 90.38 -87.91 135.77 96.81 1.20 1.99 47.95 47.58 1.11 1.73 0.29 0.00 0.22 1.12 25 G H H 49.94 2.70 19.55 22.62 94.20 -141.47 -62.61 -39.46 12.19 0.06 87.75 1.23 4.72 6.12 87.17 0.68 0.02 0.01 0.04 26 T H H 63.69 8.46 19.26 28.14 92.78 50.78 -66.80 -40.31 4.06 0.02 95.92 0.38 0.57 3.00 95.43 0.59 0.01 0.01 0.01 27 I H H 7.73 23.52 14.77 38.20 91.95 47.60 -65.22 -42.42 1.18 0.02 98.81 0.25 0.13 0.72 98.39 0.51 0.00 0.01 0.00 28 K H H 91.36 11.20 18.99 30.25 91.13 52.95 -61.49 -42.02 0.47 0.00 99.53 0.10 0.04 0.25 99.19 0.40 0.00 0.00 0.00 29 A H H 57.19 3.30 21.86 24.85 91.52 51.45 -64.39 -40.03 0.74 0.00 99.26 0.08 0.05 0.52 98.68 0.66 0.00 0.00 0.00 30 M H H 53.17 13.83 18.44 32.28 92.45 50.09 -67.69 -37.24 1.84 0.01 98.15 0.13 0.11 1.54 97.12 1.09 0.00 0.00 0.00 31 L H H 30.68 19.77 15.60 34.54 93.04 50.87 -72.99 -27.09 8.58 0.03 91.39 0.41 0.54 7.76 90.32 0.92 0.02 0.01 0.01 32 S H H 70.21 5.03 18.86 24.24 98.15 52.81 -88.59 -6.99 38.93 0.37 60.70 3.83 6.55 28.64 59.12 1.39 0.09 0.12 0.26 33 G C C 29.00 7.73 13.71 22.75 129.58 110.70 -96.50 175.85 95.99 1.15 2.86 50.00 41.31 4.67 0.98 1.73 0.00 0.42 0.89 34 P C T 106.74 2.68 14.61 18.15 106.77 -54.84 -65.60 131.43 77.47 0.79 21.74 11.27 13.03 52.42 2.63 19.73 0.00 0.42 0.49 35 G C T 49.85 4.81 13.85 20.05 101.23 18.26 80.72 -1.37 77.35 1.02 21.63 11.40 12.33 52.81 3.04 19.29 0.00 0.58 0.53 36 Q C C 100.81 7.07 14.78 22.93 103.35 102.86 -86.37 10.13 75.13 3.63 21.25 43.15 17.15 14.21 3.92 17.90 0.01 1.73 1.93 37 F C C 76.65 13.82 11.19 24.84 115.64 91.98 -98.16 129.81 79.42 8.43 12.15 51.82 16.98 9.83 4.90 7.28 0.02 3.73 5.42 38 A C C 54.34 6.39 14.06 21.82 115.38 -136.93 -86.42 149.86 84.56 4.47 10.97 63.03 11.95 9.05 4.16 6.99 0.00 2.35 2.46 39 E C T 137.10 3.76 13.06 18.35 102.03 -110.11 -71.21 1.68 84.43 1.95 13.62 19.91 20.98 44.30 3.81 8.95 0.01 0.99 1.05 40 N C T 105.12 4.39 13.60 19.09 103.28 41.63 -87.96 45.26 86.37 1.38 12.25 25.02 18.89 43.10 2.85 8.73 0.00 0.69 0.72 41 E C C 103.40 8.41 12.07 21.46 103.72 131.16 -83.00 24.01 80.72 3.07 16.20 46.77 18.61 15.27 3.81 12.33 0.00 1.55 1.65 42 T C C 78.01 6.92 15.20 23.08 107.16 95.81 -92.54 19.86 80.67 4.99 14.34 43.25 19.58 18.60 3.07 10.83 0.01 3.11 1.55 43 N C C 71.05 11.57 15.73 27.45 101.21 98.68 -94.72 21.09 77.95 11.61 10.44 45.05 22.11 11.58 1.99 8.25 0.00 9.56 1.46 44 E C C 79.85 11.57 18.62 30.53 121.76 113.11 -102.43 139.91 52.81 44.69 2.50 43.70 7.25 1.57 1.34 1.45 0.00 41.01 3.67 45 V E E 18.06 20.46 15.44 36.12 120.06 -158.34 -112.62 129.19 25.94 73.43 0.63 23.98 1.58 0.23 0.46 0.28 0.00 69.20 4.28 46 N E E 77.79 7.09 23.77 31.24 110.83 -139.05 -90.76 119.32 23.02 76.26 0.72 21.84 0.83 0.21 0.52 0.32 0.00 70.82 5.46 47 F C C 18.38 22.81 12.23 34.95 100.66 169.20 -99.00 7.96 70.95 12.05 17.00 61.63 4.27 4.75 1.85 15.80 0.00 10.26 1.43 48 R C T 143.16 5.61 17.90 25.09 94.12 110.44 -64.01 -27.32 81.13 3.32 15.55 7.63 12.80 58.96 0.66 16.88 0.00 2.42 0.65 49 E C T 135.66 2.81 19.80 22.81 94.42 52.27 -86.91 -3.26 81.07 2.46 16.47 6.11 12.86 60.11 0.64 18.08 0.00 1.76 0.45 50 I C S 15.61 22.92 9.17 31.15 117.70 94.72 -93.25 133.34 98.49 1.34 0.17 19.39 79.20 0.28 0.07 0.05 0.00 0.48 0.53 51 P C C 58.97 4.79 21.22 26.59 115.05 -106.69 -64.85 147.09 98.55 1.28 0.16 98.52 0.33 0.05 0.11 0.01 0.00 0.39 0.59 52 S H H 51.46 13.00 14.82 28.31 91.49 -115.39 -58.55 -37.34 1.59 0.00 98.41 0.17 0.19 1.07 98.18 0.39 0.00 0.00 0.00 53 H H H 113.88 4.40 21.95 26.82 91.55 55.80 -64.30 -38.03 0.60 0.00 99.40 0.03 0.03 0.49 99.03 0.41 0.00 0.00 0.00 54 V H H 18.86 16.60 20.12 36.89 92.23 49.97 -65.62 -42.55 0.17 0.00 99.83 0.01 0.01 0.12 99.56 0.30 0.00 0.00 0.00 55 L H H 7.67 24.08 19.23 43.30 91.31 50.80 -62.79 -42.96 0.06 0.00 99.94 0.00 0.00 0.04 99.91 0.04 0.00 0.00 0.00 56 S H H 38.25 10.93 24.03 35.03 91.46 51.93 -62.84 -41.21 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 57 K H H 71.91 10.39 25.73 36.38 91.77 50.22 -64.88 -41.53 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 58 V H H 2.72 25.19 22.47 47.44 91.48 49.25 -64.10 -43.74 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 59 C H H 9.22 21.02 23.20 43.70 91.14 51.23 -63.10 -42.72 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 60 M H H 73.16 8.50 26.40 35.52 91.64 50.79 -63.53 -42.10 0.11 0.00 99.89 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 61 Y H H 29.86 16.19 23.11 39.28 91.54 50.43 -63.76 -43.10 0.18 0.00 99.82 0.01 0.01 0.14 99.78 0.06 0.00 0.00 0.00 62 F H H 12.82 21.52 21.03 42.15 91.50 49.56 -64.61 -41.76 0.53 0.00 99.47 0.04 0.02 0.40 99.37 0.17 0.00 0.00 0.00 63 T H H 38.09 12.46 21.84 34.40 92.12 51.02 -64.91 -40.80 2.48 0.01 97.51 0.22 0.16 1.98 97.02 0.60 0.00 0.00 0.00 64 Y H H 75.07 9.58 20.50 30.81 92.57 50.86 -66.16 -39.03 8.37 0.03 91.60 0.80 0.70 6.75 90.22 1.48 0.02 0.01 0.02 65 K H H 66.22 13.12 18.18 31.24 92.92 52.68 -67.61 -36.72 16.16 0.15 83.69 2.70 1.84 11.77 80.30 3.19 0.05 0.06 0.08 66 V H H 44.41 13.07 16.28 29.71 93.70 52.65 -68.93 -35.39 27.26 0.63 72.11 6.59 4.73 17.19 64.71 6.01 0.15 0.31 0.32 67 R H H 129.86 5.23 18.13 23.99 95.50 54.47 -74.85 -22.94 37.89 1.61 60.50 12.70 6.58 20.54 52.94 5.51 0.15 0.78 0.78 68 Y C C 96.20 9.62 12.91 23.52 100.93 57.67 -88.42 1.17 63.13 2.78 34.09 39.26 9.11 14.61 30.23 4.13 0.02 1.22 1.43 69 T C C 67.33 8.96 11.89 21.78 105.03 89.63 -86.45 3.68 75.81 2.37 21.82 39.91 11.46 24.35 17.96 3.98 0.01 1.13 1.20 70 N C C 122.11 2.54 13.50 16.96 100.70 26.43 -85.72 19.62 84.87 1.24 13.89 33.73 19.70 32.28 8.83 4.20 0.01 0.54 0.71 71 S C C 59.26 6.43 10.34 18.36 114.93 103.24 -99.31 136.36 91.17 0.97 7.87 50.98 21.60 18.83 3.47 4.04 0.00 0.42 0.66 72 S C C 84.94 3.57 11.91 16.53 100.30 -153.56 -85.15 -0.15 93.02 0.91 6.07 47.67 25.88 19.66 1.67 4.18 0.00 0.42 0.52 73 T C C 86.92 4.51 12.16 18.28 109.81 94.51 -90.91 106.13 92.24 2.04 5.72 46.25 33.29 12.93 1.31 4.27 0.00 1.07 0.87 74 E C C 127.34 3.80 15.66 20.68 115.26 -102.28 -95.54 133.39 90.38 5.34 4.28 65.30 18.77 5.82 1.22 3.32 0.00 2.80 2.76 75 I C C 46.06 17.85 10.07 27.07 115.08 -130.87 -92.35 129.26 96.37 2.69 0.93 86.41 9.26 0.75 0.44 0.46 0.00 1.48 1.21 76 P C C 55.19 8.36 16.03 25.88 114.63 -115.88 -68.11 152.09 97.39 0.90 1.71 89.02 4.50 3.72 0.37 1.51 0.00 0.56 0.32 77 E C C 136.34 3.81 17.96 23.36 114.93 -102.87 -79.75 136.53 95.60 2.17 2.24 79.01 10.94 4.88 0.39 2.47 0.00 0.96 1.36 78 F C C 41.84 19.42 10.38 28.90 119.30 -149.20 -102.48 131.31 97.92 1.66 0.42 88.04 9.18 0.76 0.16 0.23 0.00 0.77 0.86 79 P C C 94.46 3.21 21.62 24.73 103.94 -129.78 -76.94 85.41 98.83 0.94 0.23 83.18 14.35 1.39 0.07 0.13 0.00 0.48 0.40 80 I C C 35.00 19.55 9.71 28.16 123.75 106.84 -113.14 141.05 98.08 1.74 0.18 78.93 18.56 0.33 0.10 0.06 0.00 0.45 1.57 81 A C C 51.51 4.39 17.63 22.84 115.09 -105.40 -67.48 147.18 99.69 0.09 0.22 99.05 0.63 0.08 0.16 0.01 0.00 0.03 0.04 82 P H H 86.85 6.68 13.29 21.49 91.57 -113.04 -57.48 -37.83 4.65 0.01 95.34 0.94 0.48 2.86 94.12 1.59 0.00 0.00 0.00 83 E H H 125.60 2.20 18.34 20.48 91.77 54.63 -64.25 -38.05 2.42 0.01 97.58 0.38 0.18 1.63 96.07 1.72 0.00 0.00 0.00 84 I H H 33.71 13.81 15.95 30.49 92.43 49.55 -66.29 -40.49 0.79 0.00 99.21 0.16 0.06 0.47 97.83 1.47 0.00 0.00 0.00 85 A H H 17.59 17.08 15.88 33.26 91.33 52.80 -62.46 -42.58 0.26 0.00 99.74 0.05 0.02 0.14 99.58 0.22 0.00 0.00 0.00 86 L H H 83.23 4.45 22.37 26.55 91.69 50.79 -64.18 -41.09 0.11 0.00 99.89 0.01 0.00 0.06 99.86 0.06 0.00 0.00 0.00 87 E H H 79.41 7.97 21.86 30.30 91.60 50.70 -64.39 -41.54 0.05 0.00 99.95 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 88 L H H 13.01 21.82 17.98 39.46 91.81 50.51 -64.07 -42.36 0.05 0.00 99.95 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 89 L H H 59.33 11.66 21.82 33.36 91.37 50.62 -63.16 -42.16 0.06 0.00 99.94 0.00 0.00 0.04 99.91 0.03 0.00 0.00 0.00 90 M H H 92.04 3.52 24.24 27.12 91.70 49.78 -64.11 -41.64 0.22 0.00 99.78 0.01 0.01 0.16 99.72 0.09 0.00 0.00 0.00 91 A H H 14.08 13.57 18.38 33.39 91.58 50.83 -64.00 -42.20 0.48 0.00 99.52 0.04 0.02 0.35 99.31 0.28 0.00 0.00 0.00 92 A H H 13.20 17.99 15.31 33.75 91.54 51.57 -63.01 -41.56 1.44 0.00 98.56 0.17 0.09 1.03 97.48 1.22 0.00 0.00 0.00 93 N H H 98.48 3.99 18.93 23.34 91.91 50.40 -65.53 -38.68 5.46 0.01 94.54 0.42 0.27 4.58 92.18 2.53 0.00 0.00 0.00 94 F H H 128.23 3.79 17.06 21.68 92.23 51.29 -67.60 -32.91 13.70 0.03 86.27 0.93 0.83 11.88 84.21 2.11 0.01 0.01 0.02 95 L C H 56.02 12.79 12.17 25.53 95.60 50.41 -89.28 -0.69 52.93 0.53 46.54 5.00 6.40 40.84 44.57 2.57 0.08 0.19 0.35 96 D C T 116.52 2.25 17.97 20.83 95.72 -122.38 55.91 43.25 92.41 0.33 7.27 29.56 1.76 60.90 6.65 0.80 0.00 0.14 0.19 97 C C C 36.38 17.93 11.91 28.77 105.77 166.51 -86.86 39.35 99.93 0.06 0.02 99.86 0.07 0.03 0.01 0.00 0.00 0.02 0.01