# 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 W C C 119.44 10.84 14.30 25.42 115.90 -165.59 -95.32 133.10 99.75 0.22 0.03 99.71 0.09 0.06 0.01 0.00 0.00 0.11 0.02 1 G C C 38.87 7.08 13.14 21.27 118.58 150.36 -116.69 124.07 88.57 5.69 5.74 78.81 2.84 7.36 2.09 2.95 0.00 4.01 1.93 2 A C C 72.26 5.08 11.50 17.91 101.45 -73.72 -78.81 -9.49 79.05 8.67 12.28 47.87 16.56 15.13 3.05 9.09 0.01 5.69 2.60 3 Y C C 124.50 7.06 9.54 17.98 105.64 72.89 -87.87 74.28 79.80 7.65 12.55 54.68 12.63 12.47 3.27 9.43 0.00 5.06 2.46 4 E C C 135.58 3.29 12.43 17.24 102.89 107.58 -87.08 -5.41 86.00 3.07 10.93 54.26 22.02 10.11 4.14 6.43 0.00 1.70 1.35 5 E C C 96.91 5.43 11.32 18.46 113.05 99.45 -97.20 116.77 95.72 0.84 3.45 68.06 25.68 1.81 3.06 0.59 0.00 0.32 0.46 6 P H H 88.72 4.77 12.15 18.75 94.24 -146.32 -62.58 -30.87 41.57 0.30 58.13 15.02 6.79 19.27 55.87 2.75 0.01 0.13 0.16 7 L H H 103.88 3.13 14.86 18.61 93.30 56.93 -66.92 -36.56 25.18 0.28 74.53 8.27 3.71 13.21 72.08 2.46 0.02 0.13 0.14 8 S H H 38.63 9.12 14.12 24.57 93.61 52.31 -67.77 -38.50 10.95 0.41 88.65 5.96 1.70 4.08 85.14 2.73 0.02 0.26 0.12 9 L H H 63.57 10.23 15.35 26.46 92.49 53.89 -64.86 -40.89 5.27 0.30 94.43 2.61 0.75 2.23 92.07 2.02 0.01 0.22 0.07 10 V H H 79.44 4.02 19.96 24.15 92.14 50.45 -65.08 -41.48 3.47 0.23 96.30 1.40 0.47 1.78 94.44 1.66 0.02 0.17 0.05 11 A H H 49.33 6.07 20.00 26.42 91.87 50.18 -64.56 -41.60 2.23 0.08 97.68 0.61 0.26 1.33 95.69 2.01 0.01 0.06 0.02 12 G H H 15.65 13.54 16.61 31.04 91.97 51.50 -63.95 -41.46 4.20 0.07 95.73 0.57 0.33 3.10 93.25 2.65 0.02 0.05 0.02 13 F H H 88.22 9.08 20.33 29.85 91.73 49.90 -64.57 -40.39 4.74 0.06 95.20 0.55 0.35 3.71 92.82 2.49 0.02 0.04 0.02 14 L H H 87.87 4.40 22.17 26.55 91.83 50.66 -64.33 -40.84 3.02 0.04 96.94 0.40 0.28 2.27 93.10 3.89 0.01 0.03 0.01 15 G H H 21.75 11.51 18.32 30.50 92.71 51.21 -65.58 -39.24 6.85 0.03 93.12 0.42 0.33 6.05 86.04 7.11 0.02 0.02 0.01 16 W H H 84.34 14.30 18.07 31.97 93.04 49.26 -69.96 -34.98 16.07 0.05 83.88 0.63 0.75 14.76 76.41 7.36 0.05 0.03 0.03 17 F H H 103.65 6.82 20.79 27.89 93.80 50.69 -69.54 -38.29 20.36 0.19 79.45 1.45 2.41 17.06 74.26 4.44 0.17 0.08 0.12 18 A H H 49.91 6.65 19.46 26.62 94.35 55.16 -66.81 -40.26 40.51 1.33 58.16 15.14 11.21 14.64 30.95 26.60 0.14 0.66 0.65 19 P H G 40.46 13.55 16.08 30.04 93.57 50.13 -69.14 -28.25 34.95 1.38 63.67 15.78 5.08 13.95 24.83 39.03 0.03 0.86 0.44 20 S H G 52.01 11.33 15.79 27.42 92.93 64.15 -69.65 -22.71 38.03 2.20 59.77 12.09 6.87 19.31 18.70 40.77 0.14 1.27 0.84 21 N C G 109.84 3.53 18.66 22.62 95.73 58.53 -87.32 -4.91 53.96 3.96 42.08 18.67 10.27 26.35 10.51 30.22 0.12 2.33 1.53 22 I C C 61.23 12.75 11.55 25.04 114.71 103.39 -84.49 131.89 84.44 9.99 5.57 47.15 33.25 4.85 2.98 2.56 0.01 5.37 3.82 23 K C C 147.58 2.75 17.19 20.86 109.92 -126.92 -78.81 125.46 85.05 12.45 2.50 70.57 10.90 3.11 1.32 1.26 0.00 8.71 4.12 24 V C C 53.59 13.27 10.20 23.69 121.01 -174.30 -110.23 135.54 83.19 11.86 4.96 64.97 14.91 2.87 2.69 2.39 0.02 7.38 4.78 25 P C C 78.64 5.22 14.20 20.83 109.25 -113.09 -69.41 144.99 77.87 8.25 13.88 56.82 10.08 11.20 3.85 9.90 0.01 5.84 2.31 26 A C C 71.85 6.01 11.76 19.13 102.70 -127.13 -76.99 -2.77 71.72 8.81 19.47 27.71 22.39 23.95 4.32 13.50 0.10 5.10 2.93 27 F C T 129.46 4.94 10.99 17.45 108.49 49.22 -97.55 85.54 71.97 10.70 17.33 20.78 25.63 27.39 4.24 11.47 0.23 5.39 4.87 28 G C T 57.21 2.12 13.70 16.63 105.22 -32.35 76.15 1.68 87.83 3.03 9.13 25.83 27.95 34.93 2.57 5.86 0.01 1.51 1.35 29 N C S 102.16 6.15 11.76 19.18 103.16 -49.00 -78.35 31.03 83.05 2.72 14.23 20.72 33.88 29.67 6.73 6.26 0.03 1.29 1.40 30 E C C 119.82 4.57 14.72 20.51 106.45 126.06 -90.25 34.36 71.78 8.72 19.50 32.59 27.04 13.50 13.25 5.50 0.16 4.39 3.57 31 S C C 41.66 8.27 16.65 25.95 120.21 -113.66 -89.98 161.75 63.02 8.13 28.85 45.17 14.32 4.33 26.42 2.49 0.05 3.15 4.07 32 L H H 47.73 16.13 16.25 31.93 94.01 -100.80 -63.30 -37.02 5.28 0.10 94.62 2.25 1.01 2.16 93.71 0.77 0.01 0.05 0.04 33 F H H 74.16 13.09 18.91 31.82 92.34 53.65 -64.05 -41.34 1.64 0.02 98.34 0.42 0.18 0.93 97.82 0.64 0.00 0.01 0.00 34 G H H 29.11 4.77 20.98 26.42 91.78 50.98 -63.91 -41.18 0.75 0.01 99.24 0.18 0.07 0.43 98.71 0.61 0.00 0.00 0.00 35 A H H 34.23 9.09 19.53 29.74 92.06 50.79 -64.73 -41.67 0.33 0.00 99.67 0.08 0.03 0.17 99.49 0.23 0.00 0.00 0.00 36 F H H 41.10 16.60 18.10 34.45 92.18 49.63 -64.62 -42.17 0.34 0.00 99.66 0.06 0.02 0.20 99.57 0.14 0.00 0.00 0.00 37 H H H 81.52 9.19 20.39 29.99 91.60 49.94 -64.15 -41.30 0.37 0.00 99.63 0.06 0.02 0.23 99.59 0.10 0.00 0.00 0.00 38 A H H 56.66 2.97 22.29 24.49 91.81 50.38 -64.65 -41.46 0.77 0.00 99.23 0.08 0.05 0.54 99.20 0.13 0.00 0.00 0.00 39 S H H 27.78 10.10 18.73 30.16 92.22 49.64 -65.40 -41.17 2.28 0.01 97.72 0.26 0.19 1.70 97.62 0.23 0.00 0.00 0.00 40 M H H 36.74 15.70 16.35 32.24 92.11 50.25 -64.47 -41.37 1.37 0.00 98.63 0.24 0.12 0.84 98.45 0.35 0.00 0.00 0.00 41 L H H 83.06 4.89 19.39 24.91 91.76 51.31 -64.12 -40.63 1.07 0.00 98.93 0.18 0.08 0.65 98.54 0.55 0.00 0.00 0.00 42 E H H 111.48 2.12 20.67 21.64 92.19 49.44 -65.79 -40.22 1.55 0.00 98.44 0.17 0.10 1.13 97.53 1.07 0.00 0.00 0.00 43 N H H 45.46 11.39 15.18 27.59 92.69 49.16 -67.49 -38.39 3.31 0.00 96.68 0.26 0.18 2.63 95.17 1.75 0.00 0.00 0.00 44 L H H 61.15 12.51 13.32 26.30 91.90 53.54 -66.68 -33.16 6.72 0.02 93.26 0.71 0.47 5.12 87.50 6.17 0.01 0.01 0.01 45 A H H 79.73 2.16 16.02 18.56 91.61 60.08 -69.50 -22.72 35.26 0.05 64.69 1.22 1.42 32.45 58.94 5.87 0.03 0.02 0.04 46 N C T 112.32 2.39 15.17 18.05 98.91 50.74 -98.15 4.04 64.32 0.11 35.57 3.05 3.82 56.98 30.53 5.45 0.01 0.04 0.10 47 F C C 75.12 13.66 8.43 21.94 116.33 117.32 -79.08 138.71 94.45 0.64 4.90 44.56 43.25 6.85 2.09 2.47 0.00 0.19 0.59 48 P C C 85.68 5.38 12.69 19.55 104.81 -93.98 -70.47 108.03 95.84 0.61 3.54 54.27 24.92 16.70 0.80 2.67 0.00 0.27 0.38 49 Q C S 136.55 2.32 13.44 16.98 108.91 47.10 -97.96 65.62 92.48 3.41 4.11 34.81 45.61 12.10 0.95 2.93 0.00 1.23 2.38 50 G C S 36.55 6.26 13.07 20.71 130.31 -72.12 116.12 177.08 97.28 1.26 1.46 43.20 48.26 5.89 0.31 1.09 0.00 0.55 0.70 51 P C C 72.74 6.09 13.11 20.68 115.07 -43.71 -69.98 152.82 94.39 1.11 4.50 70.13 15.73 8.14 1.07 3.62 0.00 0.48 0.84 52 A C C 58.23 4.87 14.54 20.63 113.51 -103.14 -68.85 148.73 86.46 1.57 11.97 70.31 6.75 7.91 1.93 11.25 0.00 0.68 1.16 53 L C T 95.35 9.43 10.07 20.47 93.23 -116.98 -64.51 -22.22 89.10 0.40 10.51 11.04 10.86 65.87 0.99 10.75 0.00 0.20 0.29 54 T C T 110.96 1.37 14.50 15.61 95.73 57.31 -91.07 -1.06 87.58 0.33 12.09 10.94 10.86 64.50 1.22 12.10 0.00 0.17 0.21 55 D C S 51.34 8.13 9.64 19.81 117.06 109.80 -76.34 143.31 96.90 0.66 2.44 46.34 49.47 0.92 1.92 0.47 0.00 0.12 0.76 56 K H H 152.88 1.86 14.25 16.61 92.30 -129.22 -62.25 -30.51 22.17 0.06 77.76 1.74 3.18 17.63 75.73 1.62 0.04 0.02 0.05 57 F H H 93.38 6.94 13.67 22.09 92.63 58.27 -66.22 -35.47 11.78 0.06 88.16 0.87 0.91 10.38 86.30 1.44 0.04 0.03 0.04 58 W H H 66.93 12.63 12.70 26.21 92.01 54.09 -63.88 -41.05 1.19 0.02 98.80 0.26 0.11 0.74 97.92 0.95 0.00 0.01 0.00 59 I H H 90.63 4.34 17.51 22.25 91.74 51.72 -63.93 -41.56 0.41 0.01 99.58 0.07 0.03 0.27 99.12 0.49 0.00 0.01 0.00 60 L H H 82.05 4.01 18.80 23.29 91.90 50.06 -64.57 -41.98 0.46 0.01 99.52 0.05 0.03 0.35 99.10 0.45 0.00 0.01 0.00 61 M H H 45.87 12.54 16.03 29.38 92.19 49.72 -64.85 -41.69 1.06 0.02 98.91 0.11 0.09 0.86 98.45 0.46 0.01 0.01 0.01 62 I H H 61.58 10.67 17.19 28.51 91.98 49.93 -63.90 -41.98 2.11 0.04 97.85 0.16 0.18 1.83 97.22 0.56 0.03 0.02 0.02 63 T H H 71.16 4.32 19.71 23.79 92.67 48.38 -66.23 -41.06 2.93 0.02 97.05 0.27 0.21 2.51 96.37 0.60 0.01 0.01 0.01 64 W H H 109.49 7.63 19.29 27.50 92.92 47.90 -67.32 -41.24 5.04 0.03 94.94 0.32 0.39 4.45 93.87 0.92 0.02 0.01 0.01 65 H H H 50.11 14.21 17.25 31.54 92.87 48.68 -66.81 -40.62 5.84 0.03 94.14 0.53 0.44 4.86 93.29 0.85 0.01 0.01 0.02 66 L H H 73.51 7.18 20.01 27.54 91.99 51.49 -64.13 -40.56 2.93 0.01 97.06 0.29 0.23 2.31 96.51 0.66 0.00 0.00 0.00 67 G H H 29.91 5.51 19.95 26.23 92.00 51.36 -64.62 -40.53 3.11 0.01 96.89 0.44 0.22 2.20 96.63 0.51 0.00 0.00 0.00 68 L H H 55.78 10.38 18.66 29.65 92.18 50.63 -65.47 -41.50 1.01 0.00 98.99 0.19 0.08 0.61 98.82 0.30 0.00 0.00 0.00 69 F H H 78.23 10.54 19.00 29.69 91.97 50.62 -63.90 -42.18 0.39 0.00 99.61 0.07 0.03 0.23 99.51 0.16 0.00 0.00 0.00 70 L H H 82.41 5.17 20.73 25.85 91.88 50.13 -64.29 -42.12 0.27 0.00 99.73 0.04 0.01 0.17 99.66 0.12 0.00 0.00 0.00 71 A H H 45.82 6.14 19.44 26.51 91.99 50.29 -64.82 -41.56 0.33 0.00 99.67 0.04 0.02 0.22 99.59 0.13 0.00 0.00 0.00 72 L H H 60.05 9.61 18.34 28.56 92.20 49.71 -65.27 -41.22 0.70 0.00 99.30 0.06 0.03 0.52 99.19 0.20 0.00 0.00 0.00 73 T H H 53.98 7.96 18.91 27.27 92.25 49.18 -65.25 -41.70 1.88 0.00 98.11 0.16 0.10 1.46 97.99 0.27 0.00 0.00 0.00 74 L H H 86.79 4.47 19.59 24.36 92.26 49.51 -65.11 -41.00 2.74 0.01 97.25 0.30 0.21 2.01 96.88 0.60 0.00 0.00 0.00 75 G H H 29.20 5.98 17.70 24.88 92.24 51.22 -64.23 -41.39 6.98 0.01 93.00 0.62 0.48 5.55 92.51 0.83 0.00 0.00 0.01 76 N H H 77.24 5.77 19.01 25.12 92.74 49.50 -66.42 -40.33 6.09 0.02 93.89 0.66 0.45 4.68 93.41 0.78 0.01 0.01 0.01 77 I H H 75.97 5.76 17.96 24.43 92.16 50.00 -64.40 -42.33 1.99 0.01 98.00 0.37 0.22 1.25 97.63 0.53 0.00 0.00 0.00 78 G H H 30.32 4.58 17.05 22.80 91.87 50.38 -63.21 -42.15 1.90 0.00 98.10 0.37 0.15 1.16 97.94 0.38 0.00 0.00 0.00 79 Q H H 84.95 3.17 17.29 20.76 91.93 49.30 -64.41 -41.55 1.16 0.00 98.83 0.22 0.10 0.70 98.59 0.39 0.00 0.00 0.00 80 A H H 49.28 3.45 15.68 20.02 91.71 50.51 -63.86 -40.65 1.28 0.00 98.71 0.22 0.11 0.79 98.41 0.47 0.00 0.00 0.00 81 A H H 45.68 4.13 12.51 18.54 92.01 51.21 -63.99 -40.42 2.56 0.01 97.43 0.44 0.22 1.63 96.85 0.84 0.00 0.00 0.00 82 R H H 151.61 1.90 12.65 15.22 92.18 50.29 -65.82 -39.22 5.08 0.02 94.91 0.79 0.46 3.50 93.94 1.29 0.01 0.01 0.01 83 K H H 151.85 1.17 12.02 13.21 92.89 50.25 -68.40 -32.26 12.95 0.04 87.02 1.32 1.17 10.05 85.99 1.43 0.01 0.01 0.02 84 Q C H 129.38 1.76 10.35 12.90 95.92 50.58 -81.89 -9.44 50.34 0.10 49.56 2.75 3.85 42.00 49.50 1.78 0.02 0.03 0.08 85 G C T 59.04 1.46 11.64 13.72 99.85 -100.67 75.98 11.63 90.93 0.07 9.00 21.14 1.65 67.73 8.67 0.75 0.00 0.02 0.04 86 Y C C 130.49 6.06 10.03 17.66 105.43 134.36 -86.65 50.84 99.95 0.03 0.03 99.87 0.06 0.05 0.01 0.00 0.00 0.01 0.00