# 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 100.83 9.51 14.99 24.84 115.69 -166.02 -95.80 135.76 99.54 0.42 0.03 99.38 0.22 0.10 0.01 0.00 0.00 0.22 0.07 1 G C C 41.06 7.32 13.48 21.87 119.16 -150.13 95.07 168.83 89.71 8.12 2.17 80.77 2.91 5.82 0.61 1.50 0.00 4.65 3.75 2 G C C 46.21 5.65 12.54 19.59 116.44 34.83 103.94 173.71 85.37 9.92 4.70 52.89 17.40 14.79 1.12 3.77 0.00 5.34 4.69 3 G C C 47.70 5.22 12.10 18.62 111.02 -6.77 57.03 -72.22 78.55 7.82 13.63 40.48 19.99 18.68 2.78 10.61 0.02 3.98 3.46 4 D C C 108.12 3.66 11.95 16.78 102.95 -5.48 -81.16 8.14 72.27 5.70 22.04 30.53 19.97 23.29 4.15 16.62 0.03 2.78 2.63 5 H C T 133.25 4.00 11.23 16.47 102.94 65.60 -89.91 18.02 70.63 4.82 24.55 25.23 20.11 27.11 4.74 17.99 0.04 2.29 2.51 6 G C C 48.65 4.58 11.14 17.10 107.75 -73.09 68.90 1.21 74.74 4.18 21.08 28.88 21.64 25.65 4.26 15.40 0.02 1.93 2.22 7 H C C 139.48 3.32 11.11 15.74 106.31 81.00 -88.70 53.96 75.74 5.22 19.04 33.37 19.57 24.06 4.48 13.33 0.03 2.38 2.79 8 G C C 52.12 3.86 11.41 16.54 107.35 7.03 31.56 5.67 76.41 5.00 18.60 36.25 19.65 21.43 4.32 13.37 0.02 2.29 2.66 9 A C C 75.23 4.73 10.22 16.39 106.99 97.52 -86.71 68.57 74.92 4.51 20.57 36.71 18.03 20.91 4.02 15.88 0.01 2.16 2.27 10 E C C 143.87 2.38 11.58 15.26 107.88 51.94 -87.59 90.94 79.00 3.58 17.43 32.82 19.29 27.56 2.97 13.87 0.01 1.74 1.75 11 G C C 50.92 4.15 11.28 17.03 113.30 -30.23 107.16 134.91 85.12 3.47 11.40 36.28 24.52 24.52 1.96 9.36 0.00 1.65 1.71 12 G C C 47.94 4.43 11.83 17.68 115.81 -75.10 -88.70 172.60 88.40 5.63 5.97 48.81 26.18 13.31 1.21 4.97 0.00 2.84 2.67 13 D C C 105.81 3.80 13.35 18.48 110.54 -64.17 -87.22 122.15 88.11 7.73 4.17 48.92 27.86 11.38 0.88 3.47 0.00 4.38 3.10 14 F C C 93.79 10.91 10.02 21.42 119.19 94.57 -100.81 137.93 80.20 16.92 2.88 50.58 24.67 4.90 1.04 1.95 0.01 8.15 8.71 15 R C C 114.00 6.80 14.33 22.32 114.49 -119.31 -81.15 140.40 84.29 13.02 2.70 73.81 6.67 2.94 1.06 1.63 0.00 7.59 6.29 16 A C S 72.20 7.12 13.66 21.83 97.70 -141.74 -74.74 -19.15 90.90 4.25 4.84 19.08 48.55 24.01 1.38 2.93 0.01 2.64 1.40 17 K C S 127.29 4.30 16.40 21.62 111.30 52.41 -105.56 84.04 80.70 14.19 5.11 24.66 34.43 22.99 1.58 3.24 0.06 8.71 4.34 18 V C C 59.53 12.29 12.21 24.88 116.43 125.12 -96.46 134.68 74.47 21.85 3.68 52.87 16.30 4.67 1.76 2.16 0.02 13.00 9.22 19 W C C 134.26 7.75 14.98 23.64 112.04 -139.05 -92.32 120.83 76.59 20.10 3.31 58.23 13.07 3.75 1.88 1.62 0.02 11.64 9.79 20 S C C 41.31 9.64 13.33 24.13 125.77 -163.00 -113.40 153.08 83.80 13.26 2.94 64.18 15.18 3.64 1.38 1.69 0.00 6.76 7.17 21 M C T 114.99 6.76 13.31 21.12 94.22 -117.22 -67.70 -21.67 85.96 3.21 10.83 14.17 22.51 49.13 1.93 8.87 0.01 1.81 1.57 22 T C T 88.41 4.82 13.39 18.95 99.17 59.76 -86.80 2.31 90.60 1.26 8.14 6.32 16.22 67.60 0.98 7.42 0.00 0.72 0.74 23 G C T 44.72 5.35 14.16 20.59 103.09 -78.02 91.55 3.82 90.45 2.71 6.84 19.94 32.47 37.62 0.75 6.46 0.00 1.30 1.45 24 G C C 24.52 8.46 11.72 21.66 126.27 126.24 -87.63 172.03 89.81 6.19 4.01 45.47 35.54 8.05 0.91 3.21 0.00 2.24 4.57 25 P C T 89.98 5.90 13.73 20.64 93.81 -63.70 -67.73 -25.06 77.14 2.70 20.17 6.14 14.20 55.20 1.66 19.64 0.02 1.49 1.65 26 N C T 105.65 4.07 15.03 19.88 97.07 53.16 -90.05 -1.51 77.31 2.92 19.77 7.94 12.71 55.01 1.81 19.25 0.02 1.73 1.53 27 C C C 46.09 11.22 11.68 23.83 114.38 90.89 -94.24 132.23 72.37 10.05 17.58 42.55 17.48 11.45 3.18 14.59 0.04 4.34 6.36 28 R C C 124.89 7.41 15.00 23.71 116.41 -150.68 -108.28 118.51 92.75 6.38 0.86 67.50 23.79 1.09 0.47 0.41 0.00 2.39 4.35 29 P C C 48.94 11.46 11.27 23.70 113.77 -127.84 -69.58 148.31 88.54 3.85 7.60 71.84 7.62 8.50 2.74 4.88 0.00 1.88 2.54 30 K C T 161.17 1.51 15.38 16.86 95.53 -127.20 -67.31 -23.30 90.01 0.35 9.64 3.46 14.50 72.77 3.79 5.00 0.00 0.16 0.32 31 H C T 99.01 5.37 13.34 20.16 101.11 45.84 -103.89 32.54 89.66 0.36 9.98 11.07 8.13 70.76 5.73 3.84 0.00 0.15 0.30 32 W H H 82.28 13.64 11.09 25.18 93.62 123.09 -61.54 -40.61 4.79 0.02 95.19 2.05 0.79 2.11 93.83 1.20 0.00 0.01 0.01 33 R H H 147.27 3.63 17.07 21.16 91.50 52.45 -64.10 -40.79 1.06 0.00 98.94 0.19 0.11 0.67 98.36 0.68 0.00 0.00 0.00 34 R H H 134.42 2.05 19.58 20.74 91.98 48.96 -65.62 -40.79 0.49 0.00 99.51 0.08 0.04 0.29 99.03 0.55 0.00 0.00 0.00 35 N H H 41.42 10.24 15.47 27.07 92.05 50.11 -65.09 -41.32 0.29 0.00 99.71 0.06 0.03 0.15 99.59 0.17 0.00 0.00 0.00 36 T H H 39.36 11.69 16.57 29.02 92.03 50.79 -64.70 -41.76 0.11 0.00 99.89 0.02 0.01 0.06 99.90 0.02 0.00 0.00 0.00 37 A H H 56.94 2.97 20.14 22.62 91.52 50.37 -63.93 -41.98 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 38 I H H 90.30 3.04 20.55 23.08 91.75 48.70 -64.70 -42.53 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 39 A H H 29.83 11.85 16.34 28.92 91.79 50.08 -64.47 -41.99 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 40 M H H 80.49 8.42 18.06 26.75 91.87 50.28 -63.94 -41.88 0.12 0.00 99.88 0.00 0.00 0.08 99.89 0.01 0.00 0.00 0.00 41 F H H 124.76 1.77 20.33 20.67 91.71 49.67 -64.53 -41.61 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 42 G H H 29.74 4.71 17.80 23.31 91.86 49.88 -64.53 -41.99 0.31 0.00 99.69 0.01 0.01 0.24 99.70 0.03 0.00 0.00 0.00 43 V H H 48.73 11.26 15.82 27.45 91.96 49.20 -65.19 -41.71 0.39 0.00 99.61 0.02 0.01 0.31 99.60 0.06 0.00 0.00 0.00 44 F H H 106.59 5.91 17.24 23.75 91.93 50.48 -64.59 -40.98 0.35 0.00 99.65 0.02 0.01 0.28 99.48 0.22 0.00 0.00 0.00 45 L H H 108.10 1.52 19.09 19.17 92.36 48.99 -66.13 -39.99 0.97 0.00 99.03 0.02 0.02 0.94 98.43 0.58 0.00 0.00 0.00 46 V H H 76.73 5.14 17.43 22.82 95.45 42.42 -75.39 -37.02 5.28 0.00 94.72 0.05 0.10 5.90 93.19 0.74 0.01 0.00 0.00 47 C H H 38.59 12.26 14.26 27.04 94.78 46.50 -78.74 -35.91 6.32 0.01 93.68 0.17 0.34 5.96 93.05 0.46 0.01 0.00 0.01 48 I H H 82.83 5.47 17.07 23.52 91.94 58.43 -61.56 -43.18 1.78 0.00 98.21 0.17 0.17 1.30 97.86 0.49 0.00 0.00 0.00 49 P H H 77.36 1.97 19.27 20.13 91.54 49.92 -64.16 -41.46 0.94 0.00 99.06 0.14 0.06 0.66 98.66 0.47 0.00 0.00 0.00 50 I H H 73.46 6.27 17.86 24.41 91.86 49.38 -65.00 -41.77 0.16 0.00 99.84 0.01 0.01 0.11 99.69 0.17 0.00 0.00 0.00 51 A H H 36.99 10.53 15.33 26.49 91.51 50.51 -63.87 -41.56 0.15 0.00 99.85 0.01 0.01 0.10 99.82 0.06 0.00 0.00 0.00 52 K H H 112.77 3.29 18.79 22.26 91.77 50.06 -64.75 -40.74 0.31 0.00 99.69 0.02 0.01 0.23 99.67 0.06 0.00 0.00 0.00 53 L H H 84.92 2.46 19.12 20.91 91.69 49.28 -64.60 -41.85 0.36 0.00 99.64 0.03 0.02 0.26 99.58 0.11 0.00 0.00 0.00 54 S H H 33.03 8.86 15.17 25.30 91.92 50.51 -64.40 -40.64 0.72 0.00 99.28 0.06 0.03 0.52 99.01 0.38 0.00 0.00 0.00 55 A H H 40.21 9.52 13.88 24.72 91.35 52.13 -64.92 -35.57 2.25 0.00 97.74 0.13 0.11 1.88 95.81 2.06 0.00 0.00 0.00 56 K H H 148.05 1.62 17.51 18.78 91.82 55.25 -69.42 -23.32 12.38 0.01 87.60 0.34 0.48 11.96 84.99 2.19 0.01 0.01 0.01 57 L H H 104.88 3.81 15.21 19.75 96.69 49.09 -95.93 -3.31 36.02 0.14 63.84 1.92 2.60 30.84 62.23 2.20 0.05 0.05 0.10 58 E C C 69.48 13.01 9.59 22.97 115.17 108.09 -77.23 135.38 91.89 6.73 1.37 77.56 12.10 2.07 1.04 0.44 0.00 3.92 2.87 59 Q C C 118.78 3.47 14.86 20.13 122.34 -165.55 -116.82 137.62 64.85 34.67 0.48 61.72 2.34 0.37 0.33 0.15 0.00 13.72 21.38 60 R C C 111.60 10.03 10.05 21.00 115.74 -143.61 -96.54 129.58 90.24 9.48 0.28 86.22 3.63 0.65 0.09 0.16 0.00 6.84 2.41 61 P C S 97.76 3.46 12.52 17.55 95.60 -145.65 -74.17 -19.01 97.70 1.96 0.34 28.83 59.64 9.30 0.05 0.32 0.00 1.53 0.34 62 H C S 129.44 2.18 14.01 16.97 125.56 42.01 -126.79 141.85 96.77 2.94 0.30 19.78 72.95 4.29 0.05 0.24 0.00 1.67 1.03 63 M C C 125.76 4.21 12.39 18.66 114.54 -108.26 -72.42 138.27 98.77 1.16 0.07 84.94 13.60 0.32 0.02 0.05 0.00 0.59 0.49 64 P C C 41.84 14.56 6.85 20.88 114.78 -109.63 -66.45 146.05 98.32 1.47 0.21 94.86 2.88 0.58 0.06 0.10 0.00 0.50 1.02 65 V C S 133.09 0.73 14.01 13.49 96.46 -153.56 -87.04 -17.88 99.08 0.80 0.11 21.85 76.02 1.40 0.02 0.06 0.00 0.31 0.34 66 R C S 149.83 1.66 13.12 15.29 129.20 40.37 -128.50 150.43 98.65 1.24 0.11 6.31 91.27 1.46 0.01 0.06 0.00 0.54 0.36 67 P C C 95.66 4.26 12.21 18.20 112.88 -91.19 -65.81 141.65 97.73 1.96 0.31 79.74 15.59 2.29 0.09 0.23 0.00 0.88 1.18 68 I C C 66.02 10.09 9.29 20.59 118.55 -144.42 -105.64 129.31 90.19 5.38 4.42 74.18 12.52 2.22 3.56 1.02 0.00 1.69 4.83 69 P C T 78.97 4.09 14.90 20.02 99.57 -116.08 -63.54 -21.55 61.51 1.84 36.65 24.96 9.66 27.59 22.37 13.41 0.04 0.94 1.04 70 S H H 46.48 8.63 12.19 22.10 94.72 54.32 -71.22 -22.37 41.58 1.20 57.22 14.83 6.18 20.32 36.88 20.45 0.08 0.63 0.62 71 Q H H 82.80 8.11 12.31 21.64 92.81 69.84 -66.34 -30.87 19.09 0.72 80.19 5.23 3.29 9.59 50.88 30.28 0.08 0.42 0.24 72 I H H 105.72 2.79 14.74 18.13 92.67 57.21 -67.45 -34.72 20.33 0.79 78.88 3.69 2.92 12.10 51.81 28.56 0.18 0.48 0.27 73 W H H 137.71 4.62 13.35 19.21 97.35 47.62 -84.24 -18.35 31.48 1.87 66.64 6.84 5.79 18.03 44.71 22.25 0.50 1.06 0.81 74 C H H 44.49 10.83 9.22 20.88 108.16 85.03 -78.75 117.77 42.27 3.52 54.21 22.41 10.25 11.18 37.08 15.61 0.16 1.70 1.60 75 K H H 146.52 2.49 14.04 17.51 95.89 -141.46 -70.77 -24.75 44.86 1.26 53.88 9.83 7.79 25.72 33.33 21.74 0.21 0.69 0.68 76 N H H 107.99 2.85 13.77 17.56 98.64 56.49 -86.43 -0.29 48.33 1.57 50.10 12.29 7.81 27.22 30.28 20.57 0.15 0.87 0.81 77 F C C 94.64 9.56 10.05 20.46 106.46 95.05 -87.03 78.94 61.54 3.05 35.41 33.02 16.14 13.59 25.75 8.49 0.07 1.36 1.58 78 G C C 39.16 5.46 13.69 20.39 116.89 53.20 66.93 -167.54 79.68 1.70 18.62 51.07 14.42 13.63 15.34 3.87 0.00 0.83 0.83 79 T C C 82.12 4.40 13.18 18.78 109.08 -50.36 -86.29 94.12 69.10 1.24 29.66 46.92 12.21 9.16 26.50 4.04 0.00 0.54 0.62 80 K H H 107.41 6.23 11.62 19.22 100.13 -162.34 -74.41 -27.23 41.76 0.71 57.53 26.28 7.72 8.84 50.90 5.62 0.01 0.33 0.30 81 D H H 87.73 3.28 12.56 17.00 94.97 71.14 -66.31 -36.40 25.47 0.59 73.94 14.87 4.52 7.35 65.08 7.63 0.01 0.32 0.21 82 D H H 82.61 3.02 12.14 16.35 93.61 54.46 -67.62 -36.24 17.62 0.57 81.80 10.09 3.02 5.63 71.85 8.87 0.02 0.35 0.17 83 Y H H 110.37 4.59 9.99 16.41 93.83 53.91 -68.11 -37.00 15.57 0.65 83.78 8.41 2.85 5.36 73.81 8.95 0.02 0.40 0.19 84 E H H 114.77 3.07 10.26 14.87 93.85 56.34 -68.08 -35.20 20.11 0.73 79.16 9.92 3.65 7.69 70.08 7.96 0.03 0.42 0.25 85 K H H 145.08 1.56 9.58 12.05 95.86 54.54 -73.14 -25.46 32.38 1.11 66.51 15.06 5.55 13.51 59.06 5.72 0.05 0.56 0.49 86 E C H 136.19 2.02 9.06 12.37 98.97 59.83 -80.46 -9.25 56.52 0.80 42.68 35.80 2.16 18.15 40.26 2.83 0.00 0.36 0.44 87 H C C 133.29 3.49 9.83 14.97 105.15 108.25 -85.61 58.69 99.73 0.04 0.23 99.21 0.18 0.37 0.19 0.01 0.00 0.02 0.01