# 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 87.69 8.89 10.08 20.05 118.64 -145.94 -90.37 144.50 99.74 0.23 0.04 99.49 0.28 0.05 0.02 0.00 0.00 0.10 0.05 1 S C C 61.33 2.50 12.93 16.09 118.95 -117.29 -78.36 159.42 90.98 3.73 5.29 89.45 0.95 0.74 5.21 0.23 0.00 0.92 2.50 2 T H H 102.98 2.21 9.89 13.61 92.66 -108.58 -60.90 -36.21 5.74 0.04 94.22 1.66 0.99 3.04 93.27 1.00 0.01 0.01 0.02 3 A H H 79.12 1.11 11.84 12.72 91.92 53.24 -65.01 -39.54 2.68 0.02 97.30 0.52 0.31 1.73 96.39 1.02 0.01 0.01 0.01 4 L H H 90.99 2.49 12.09 15.55 92.61 49.56 -65.91 -39.67 1.46 0.02 98.52 0.40 0.18 0.85 97.45 1.10 0.00 0.01 0.00 5 T H H 60.85 4.38 11.38 17.53 92.28 50.26 -64.51 -41.65 1.38 0.02 98.60 0.45 0.16 0.73 98.24 0.40 0.00 0.01 0.00 6 H H H 118.09 1.93 13.75 15.97 91.89 50.07 -64.64 -40.63 1.35 0.01 98.63 0.25 0.12 0.90 98.38 0.34 0.00 0.01 0.00 7 G H H 43.96 1.62 14.05 15.47 92.33 50.27 -64.78 -40.65 1.66 0.01 98.33 0.23 0.13 1.21 97.99 0.43 0.01 0.00 0.00 8 L H H 100.53 2.10 13.97 16.39 92.67 49.20 -65.98 -41.19 1.53 0.01 98.47 0.15 0.10 1.19 97.86 0.69 0.00 0.00 0.00 9 I H H 100.04 2.77 14.15 17.49 92.84 47.46 -66.16 -40.48 2.91 0.01 97.08 0.16 0.15 2.61 96.02 1.06 0.01 0.00 0.00 10 G H H 41.35 2.20 14.12 16.61 92.61 50.38 -65.18 -39.72 17.36 0.02 82.62 0.39 0.62 16.98 80.52 1.45 0.02 0.01 0.02 11 G H H 39.87 2.03 14.54 16.57 93.02 50.74 -65.71 -40.37 15.14 0.02 84.84 0.64 0.86 13.48 84.02 0.96 0.02 0.01 0.02 12 V H H 81.56 2.25 14.62 17.04 92.08 52.39 -64.62 -42.88 2.08 0.00 97.91 0.50 0.26 0.99 98.02 0.23 0.00 0.00 0.00 13 P H H 67.97 3.25 13.97 18.18 91.94 49.81 -64.17 -40.92 0.82 0.00 99.18 0.22 0.06 0.42 99.14 0.16 0.00 0.00 0.00 14 L H H 100.08 1.79 14.91 16.36 91.76 50.04 -64.23 -41.03 0.10 0.00 99.90 0.01 0.00 0.06 99.87 0.05 0.00 0.00 0.00 15 V H H 90.47 1.46 15.19 15.85 91.82 49.68 -64.39 -41.68 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 16 L H H 94.84 2.07 14.60 16.64 91.78 49.50 -64.33 -41.74 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 17 F H H 116.71 2.50 14.10 16.98 91.70 49.59 -64.52 -41.54 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 18 A H H 63.96 1.68 14.46 15.86 91.68 50.28 -63.81 -41.74 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 19 V H H 91.30 1.40 15.05 15.55 91.95 49.37 -64.45 -41.88 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 20 L H H 92.34 2.31 14.15 16.58 92.03 49.24 -64.64 -41.23 0.11 0.00 99.89 0.00 0.00 0.09 99.88 0.02 0.00 0.00 0.00 21 A H H 55.76 2.79 12.91 16.64 91.63 50.97 -63.80 -40.87 0.40 0.00 99.60 0.02 0.01 0.33 99.54 0.10 0.00 0.00 0.00 22 L H H 100.59 1.44 13.77 14.82 92.05 50.86 -64.46 -40.59 1.10 0.00 98.90 0.06 0.05 0.96 98.29 0.64 0.00 0.00 0.00 23 I H H 103.08 1.56 13.22 14.62 92.39 50.32 -65.73 -40.01 3.19 0.01 96.80 0.16 0.16 2.85 95.24 1.56 0.01 0.01 0.00 24 F H H 116.89 3.23 11.39 15.55 92.98 49.67 -67.50 -37.54 8.53 0.05 91.43 0.66 0.65 7.17 88.99 2.45 0.03 0.02 0.02 25 L H H 113.73 2.06 11.36 14.19 94.25 51.92 -72.03 -28.91 22.60 0.49 76.91 4.78 3.83 15.37 70.91 4.46 0.16 0.23 0.28 26 T H H 101.78 1.46 11.22 12.93 96.55 53.94 -82.67 -15.09 42.70 1.71 55.59 14.59 8.68 22.04 47.99 4.88 0.16 0.78 0.87 27 R C H 158.78 2.47 9.46 13.49 106.41 79.31 -86.21 85.84 61.44 2.68 35.88 27.56 12.91 22.49 29.64 4.85 0.09 1.16 1.30 28 K C C 153.81 1.93 9.50 13.00 109.08 99.72 -90.81 97.95 80.20 3.72 16.08 44.44 19.00 16.84 12.34 3.70 0.02 1.61 2.04 29 G C C 43.38 3.22 10.15 15.05 128.33 112.09 -127.98 176.66 95.71 3.48 0.81 55.36 37.75 3.03 0.31 0.46 0.00 1.67 1.41 30 P C C 116.15 1.30 11.74 13.46 109.98 -54.01 -72.22 139.77 96.24 3.31 0.45 72.90 21.13 2.18 0.13 0.34 0.00 1.70 1.61 31 H C C 131.31 4.34 8.05 14.45 116.94 -144.79 -102.03 131.52 96.17 3.69 0.13 76.92 18.99 0.37 0.05 0.08 0.00 1.59 2.00 32 P C C 85.94 4.13 9.66 15.74 114.56 -110.42 -67.39 151.79 98.19 1.29 0.52 88.12 8.24 1.82 0.10 0.46 0.00 0.76 0.50 33 D C C 116.58 2.01 11.61 14.95 109.79 -106.48 -76.57 138.34 96.70 2.49 0.80 69.23 23.80 3.61 0.12 0.84 0.00 1.60 0.79 34 T C C 96.39 3.18 10.91 15.98 118.82 -123.12 -104.21 138.07 81.94 16.84 1.22 66.27 12.41 2.45 0.31 1.12 0.00 11.69 5.75 35 Y C C 113.63 8.24 7.83 17.34 120.60 -159.32 -103.01 139.89 75.30 24.12 0.57 69.06 4.58 0.64 0.24 0.34 0.00 13.30 11.83 36 K C C 132.79 2.22 13.27 16.56 120.10 -159.89 -112.68 138.42 90.70 9.06 0.24 87.67 2.99 0.39 0.09 0.12 0.00 4.39 4.35 37 M C T 124.33 5.96 8.42 15.97 95.20 -118.21 -62.19 -23.66 98.84 0.78 0.38 2.80 5.78 90.36 0.04 0.30 0.00 0.43 0.30 38 S C T 99.10 0.62 11.85 11.47 94.39 50.38 -83.39 -1.89 99.57 0.20 0.23 2.06 6.66 90.84 0.01 0.24 0.00 0.13 0.04 39 D C S 78.79 4.41 8.60 15.27 116.28 110.90 -80.34 139.08 97.80 2.06 0.14 35.74 62.08 0.42 0.03 0.09 0.00 0.92 0.73 40 P C C 115.50 1.11 11.95 13.37 113.52 -107.59 -68.79 143.61 92.98 6.78 0.23 87.95 4.09 0.70 0.08 0.14 0.00 2.68 4.36 41 W C C 118.07 11.24 5.61 16.42 115.11 -123.29 -86.09 134.83 91.85 7.56 0.59 86.75 3.53 1.23 0.16 0.37 0.00 2.86 5.09 42 T C S 119.83 0.69 12.91 12.52 98.98 -168.60 -97.19 -10.65 97.36 2.25 0.39 33.01 61.03 3.58 0.07 0.30 0.00 1.15 0.85 43 H C S 117.16 2.72 9.84 14.40 125.89 54.36 -119.72 149.81 97.02 2.65 0.33 10.11 84.59 2.85 0.05 0.18 0.00 1.25 0.97 44 A C C 88.19 1.31 13.57 15.00 115.68 -94.89 -67.56 148.28 97.18 2.43 0.39 66.64 28.61 2.13 0.08 0.31 0.00 1.36 0.87 45 P C C 89.15 7.08 8.83 17.52 114.21 -92.43 -66.34 143.36 92.77 6.07 1.17 77.34 12.10 3.18 0.31 0.92 0.00 4.18 1.97 46 I C C 113.01 3.53 11.14 16.48 118.22 -154.90 -109.40 134.01 53.03 44.63 2.33 33.98 15.95 3.26 1.10 1.51 0.04 31.24 12.94 47 L E E 119.92 3.72 10.28 15.72 114.91 -150.47 -97.86 127.63 40.81 55.21 3.98 26.95 11.64 5.50 1.49 2.67 0.08 46.72 4.95 48 W E E 164.22 4.22 9.74 15.95 122.64 -163.86 -118.55 138.44 38.92 56.83 4.26 24.84 10.03 5.89 2.13 2.56 0.11 47.23 7.21 49 A C C 72.28 4.00 10.46 16.57 125.67 -171.17 -122.08 148.82 57.46 39.98 2.56 41.78 10.99 4.40 1.14 1.70 0.03 34.23 5.74 50 A C C 72.06 5.43 8.92 16.07 114.46 -115.63 -82.87 141.87 78.35 19.92 1.72 52.93 21.90 4.02 0.63 1.19 0.00 15.74 3.60 51 E C C 150.29 1.80 10.32 13.28 111.45 -141.62 -92.21 127.26 87.85 10.51 1.64 48.59 36.61 3.53 0.65 0.98 0.00 6.52 3.11 52 E C C 138.58 2.10 9.60 13.29 116.21 -102.09 -85.58 140.34 91.31 5.94 2.74 68.49 20.37 2.60 1.55 1.26 0.00 3.88 1.85 53 P C C 99.66 3.78 8.36 14.24 112.28 -106.64 -69.02 141.17 82.93 7.87 9.21 70.39 6.84 5.62 4.41 4.51 0.00 5.26 2.97 54 R C C 163.60 2.68 8.48 13.08 116.60 -146.54 -100.68 133.75 74.84 13.90 11.26 54.55 11.72 7.76 5.63 5.88 0.03 8.20 6.22 55 E C C 148.23 1.92 8.81 12.29 111.51 -141.93 -93.46 123.91 75.33 12.86 11.81 50.20 14.52 10.43 5.10 6.88 0.03 8.35 4.50 56 H C C 143.55 2.66 8.63 12.94 113.73 -165.29 -103.64 125.08 80.39 9.40 10.21 43.00 17.35 21.00 3.23 6.57 0.02 5.72 3.11 57 G C C 53.03 2.77 9.59 13.97 114.28 11.78 98.99 173.20 86.29 6.22 7.49 43.47 20.51 22.94 1.73 5.60 0.00 3.44 2.31 58 H C C 148.66 2.37 9.47 13.39 111.18 -72.19 -93.58 118.88 84.89 6.53 8.58 42.95 19.88 22.61 1.91 6.45 0.01 3.41 2.78 59 G C C 54.19 2.73 10.57 14.73 112.57 24.59 101.77 9.64 86.89 5.37 7.75 37.13 23.73 26.54 1.53 6.09 0.01 2.75 2.22 60 G C C 49.26 4.01 9.82 15.47 114.04 -114.55 -103.94 162.20 85.46 5.28 9.26 37.04 25.37 23.55 1.78 7.31 0.01 2.63 2.32 61 H C C 145.66 2.56 10.04 14.10 109.40 -110.95 -92.89 96.66 83.42 5.97 10.61 33.38 23.37 27.58 2.27 7.81 0.02 3.00 2.57 62 G C C 50.75 3.37 10.31 15.23 110.03 19.56 89.80 -16.89 83.90 5.18 10.92 35.00 24.40 25.29 2.32 8.14 0.01 2.63 2.21 63 H C C 142.02 2.93 10.22 14.58 109.78 3.14 -93.01 93.53 79.61 7.40 12.99 41.59 21.53 17.18 3.45 9.22 0.02 3.98 3.03 64 D C C 107.80 2.85 10.15 14.55 110.17 64.75 -93.95 104.96 78.24 8.94 12.82 45.42 16.95 16.24 3.45 9.36 0.02 5.22 3.33 65 S C C 76.83 4.16 8.64 14.60 110.31 -159.28 -93.74 111.39 77.47 9.20 13.34 50.80 14.92 11.75 4.15 9.31 0.01 5.65 3.42 66 H C C 150.52 2.06 9.87 13.41 110.06 -133.35 -94.43 105.83 75.29 9.82 14.89 40.35 18.49 17.49 4.43 10.07 0.04 6.03 3.09 67 G C C 55.07 2.72 10.40 14.72 112.58 22.76 -108.27 132.79 75.58 10.77 13.66 37.90 21.51 17.67 3.65 9.51 0.04 7.25 2.48 68 V C C 103.71 3.94 9.19 15.02 117.22 -120.24 -100.63 132.20 70.91 18.86 10.22 49.03 14.50 7.66 3.82 6.41 0.03 14.81 3.74 69 V C C 108.07 3.42 9.99 15.57 116.35 -153.45 -103.54 131.04 67.55 26.83 5.61 50.32 11.60 5.06 2.78 3.04 0.03 21.71 5.46 70 I C C 121.07 3.88 9.76 15.70 117.75 -162.75 -108.36 133.66 67.69 29.00 3.31 47.62 13.96 5.78 1.65 1.93 0.03 22.78 6.24 71 G C C 51.64 3.36 10.60 15.81 125.39 -159.62 -118.49 159.73 75.01 23.28 1.71 50.04 17.57 7.29 0.57 1.30 0.00 18.85 4.38 72 G C C 51.76 3.62 10.55 16.11 123.41 -145.20 -139.54 172.41 78.09 20.27 1.64 50.85 20.75 6.58 0.49 1.36 0.01 15.21 4.75 73 G C C 52.58 3.31 10.78 15.90 121.42 -145.58 -115.77 161.90 76.38 20.51 3.11 50.37 18.60 7.37 0.98 2.42 0.02 13.16 7.08 74 A C C 83.64 3.71 8.62 14.21 109.60 -118.10 -94.41 108.61 75.67 17.68 6.66 42.55 19.69 14.15 1.56 5.39 0.02 11.10 5.53 75 S C C 86.67 2.08 9.93 13.36 114.64 68.45 -102.75 132.48 77.49 15.36 7.15 36.77 21.38 21.00 1.30 5.77 0.02 9.85 3.90 76 G C C 54.10 3.47 8.43 13.67 106.92 -141.76 -94.80 57.25 78.92 14.98 6.09 37.04 24.62 18.77 0.89 5.29 0.01 10.13 3.25 77 K C C 160.06 1.44 9.71 12.25 110.97 122.48 -98.18 109.08 80.82 16.54 2.64 68.69 5.65 5.79 0.73 1.96 0.00 11.23 5.95 78 W C C 170.88 4.77 9.73 16.19 110.86 -150.72 -86.76 119.61 98.83 1.13 0.04 98.70 0.32 0.10 0.02 0.01 0.00 0.70 0.16