# 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 83.44 11.97 11.93 23.95 116.49 -144.12 -91.35 138.34 99.84 0.10 0.06 99.74 0.11 0.06 0.03 0.00 0.00 0.04 0.02 1 S C C 61.44 4.32 13.79 19.28 113.92 -121.90 -82.02 143.68 81.74 2.01 16.25 77.61 0.96 2.82 16.09 0.76 0.00 0.79 0.97 2 V H H 92.71 6.35 12.06 19.80 94.15 -127.89 -64.17 -33.28 32.83 0.82 66.34 19.76 5.74 8.09 63.87 1.82 0.01 0.34 0.36 3 K H H 126.19 3.82 14.73 19.46 92.73 55.59 -65.47 -38.76 21.62 0.51 77.87 10.76 3.68 7.91 75.29 1.89 0.02 0.23 0.21 4 G H H 29.93 5.65 15.18 22.21 92.80 51.02 -65.57 -40.78 11.35 0.31 88.34 6.29 1.79 3.71 86.58 1.38 0.01 0.15 0.10 5 M H H 72.45 8.31 16.06 25.32 92.20 51.11 -65.05 -41.14 1.75 0.03 98.21 0.88 0.25 0.62 97.92 0.31 0.00 0.01 0.00 6 A H H 43.45 8.02 17.27 26.32 91.71 51.22 -64.00 -41.52 0.46 0.01 99.53 0.18 0.05 0.19 99.48 0.10 0.00 0.00 0.00 7 I H H 83.25 5.74 19.82 25.83 92.09 49.45 -65.06 -41.43 0.20 0.00 99.80 0.06 0.02 0.09 99.78 0.04 0.00 0.00 0.00 8 A H H 45.04 8.01 19.58 27.88 91.88 50.22 -64.67 -41.80 0.12 0.00 99.88 0.03 0.01 0.06 99.88 0.02 0.00 0.00 0.00 9 L H H 63.80 9.85 19.95 29.85 92.04 49.98 -65.05 -41.65 0.10 0.00 99.90 0.01 0.01 0.06 99.90 0.02 0.00 0.00 0.00 10 A H H 43.54 8.57 19.94 28.92 91.74 51.23 -64.32 -41.70 0.10 0.00 99.90 0.01 0.01 0.07 99.89 0.03 0.00 0.00 0.00 11 V H H 64.72 7.95 20.91 28.86 92.12 49.85 -64.84 -41.74 0.17 0.00 99.83 0.01 0.01 0.12 99.80 0.05 0.00 0.00 0.00 12 I H H 62.40 10.46 20.34 30.68 91.98 49.77 -64.93 -42.10 0.38 0.00 99.62 0.03 0.01 0.29 99.52 0.14 0.00 0.00 0.00 13 L H H 60.13 10.72 19.80 30.53 92.16 50.38 -65.02 -40.74 1.61 0.01 98.38 0.12 0.08 1.29 98.08 0.41 0.00 0.00 0.00 14 C H H 52.15 8.57 19.85 28.66 92.79 50.26 -65.87 -39.85 6.24 0.08 93.68 0.69 0.52 4.98 92.47 1.24 0.03 0.04 0.02 15 A H H 40.91 9.53 18.22 28.22 93.13 52.76 -65.63 -39.14 11.86 0.40 87.75 2.15 1.56 8.57 83.56 3.63 0.15 0.26 0.13 16 T H H 53.57 10.38 17.54 28.17 94.10 49.69 -69.94 -36.08 18.80 1.15 80.05 3.51 2.69 13.46 74.00 4.82 0.38 0.79 0.37 17 V H H 73.23 8.09 17.97 26.49 96.13 45.59 -77.29 -35.52 26.15 2.03 71.81 5.32 4.22 17.84 65.02 5.02 0.52 1.43 0.63 18 V H H 73.39 8.01 17.26 25.48 98.68 43.19 -82.39 -34.32 39.32 6.02 54.67 9.46 8.52 23.22 47.20 4.78 1.10 3.91 1.81 19 Q C T 92.07 7.99 17.27 25.62 99.84 39.35 -86.21 -11.93 59.33 6.44 34.23 13.75 11.95 33.86 29.12 4.76 0.64 3.87 2.07 20 G C T 32.14 11.16 15.80 26.97 106.27 30.70 77.12 -11.42 87.20 4.63 8.17 33.24 19.54 35.66 4.58 2.89 0.01 2.90 1.18 21 F C C 98.19 8.65 16.53 25.99 117.19 61.80 -101.24 126.44 83.91 11.04 5.05 57.88 21.85 4.10 3.30 2.06 0.01 6.83 3.97 22 P C C 65.42 9.92 15.01 25.75 108.87 -121.62 -69.56 133.43 79.83 11.31 8.87 60.88 10.26 8.04 3.84 5.19 0.01 8.32 3.45 23 M C C 96.36 9.29 14.66 24.59 101.88 -158.93 -86.70 -8.27 76.55 10.33 13.11 43.06 19.48 14.83 5.08 7.77 0.06 6.37 3.36 24 F C C 102.15 9.10 13.26 23.29 110.07 65.63 -96.59 106.01 79.07 8.68 12.25 45.84 18.59 15.24 4.47 7.55 0.03 5.30 2.97 25 K C C 133.94 5.23 14.13 20.77 104.28 -141.44 -85.77 23.91 85.75 4.90 9.35 43.23 23.67 19.53 2.96 6.05 0.01 2.79 1.76 26 R C C 146.30 5.12 15.01 21.51 110.63 75.16 -94.58 97.92 88.71 5.08 6.21 37.24 28.97 23.30 1.61 4.29 0.01 2.87 1.71 27 G C C 34.19 9.47 16.53 26.50 114.33 -88.32 101.61 8.55 87.82 8.65 3.52 44.96 28.80 14.53 0.77 2.93 0.00 5.90 2.10 28 R C C 99.31 11.80 19.97 31.45 121.83 -89.97 -107.16 144.09 76.61 19.45 3.93 48.69 19.81 8.40 1.10 3.16 0.01 13.90 4.93 29 C C C 15.05 22.12 16.69 38.24 116.55 -130.04 -96.99 132.82 66.57 29.26 4.18 45.23 14.32 7.40 1.22 3.28 0.01 23.53 5.01 30 L C C 55.38 11.75 24.59 36.52 117.08 -168.28 -109.94 128.74 58.19 39.11 2.70 40.63 12.51 4.75 1.07 1.95 0.02 29.85 9.21 31 C C C 19.91 20.42 15.28 35.24 112.36 -139.13 -87.09 123.35 69.25 29.72 1.03 60.40 6.17 1.51 0.46 0.67 0.00 22.59 8.19 32 I C C 89.31 8.54 19.19 28.15 102.95 -168.32 -96.43 -0.55 87.57 11.57 0.86 53.93 31.59 2.60 0.33 0.59 0.00 7.35 3.60 33 G C S 32.09 6.29 17.80 24.82 133.15 28.14 -155.50 172.59 93.54 4.80 1.66 26.65 61.82 5.23 0.61 0.90 0.00 2.50 2.30 34 P C T 98.37 5.34 13.84 20.65 108.60 -77.74 -67.75 132.92 91.41 1.67 6.92 9.54 15.38 66.27 1.23 5.80 0.00 0.99 0.79 35 G C T 54.33 3.12 15.19 19.29 99.62 32.08 80.32 -2.37 91.21 1.63 7.16 13.57 14.26 63.11 1.30 6.10 0.00 1.01 0.64 36 V C C 69.93 10.62 12.28 23.61 108.05 103.73 -89.58 79.59 88.26 3.73 8.01 54.23 23.39 10.29 2.03 5.99 0.00 1.68 2.38 37 K C C 131.35 4.95 18.92 24.93 110.78 30.71 -89.11 110.00 90.94 5.17 3.88 64.00 20.21 6.58 1.17 2.78 0.00 3.02 2.23 38 A C C 44.29 15.16 18.07 32.34 117.28 -139.08 -79.41 146.60 85.18 13.82 1.00 76.03 7.45 0.99 0.48 0.54 0.00 7.39 7.12 39 V C C 10.09 23.84 13.17 37.14 115.83 -112.92 -91.66 132.46 78.37 21.50 0.13 76.72 2.13 0.09 0.07 0.04 0.00 10.74 10.20 40 K C C 108.11 4.60 24.71 29.15 112.31 -126.54 -80.18 131.62 95.32 4.63 0.05 95.77 0.43 0.03 0.01 0.02 0.00 3.23 0.51 41 V H G 49.49 19.26 12.87 31.23 92.73 -133.70 -61.97 -32.61 9.42 0.34 90.24 1.52 1.14 5.63 0.76 90.64 0.00 0.31 0.01 42 A H G 78.20 3.02 20.53 24.10 89.80 65.67 -67.22 -20.35 9.87 0.29 89.84 0.61 0.90 7.35 0.50 90.38 0.00 0.25 0.01 43 D H G 50.18 11.62 17.45 30.03 94.29 59.09 -89.26 -5.25 10.40 0.52 89.09 1.22 1.29 6.35 0.46 90.20 0.00 0.45 0.02 44 I E E 9.60 25.13 9.94 34.81 111.40 98.47 -84.39 121.59 6.69 93.13 0.17 6.27 0.50 0.06 0.05 0.09 0.00 92.50 0.52 45 E E E 105.53 4.23 21.91 26.65 99.92 177.18 -92.04 -35.37 5.50 94.48 0.02 3.79 1.59 0.08 0.00 0.01 0.00 94.47 0.06 46 K E E 99.69 4.50 24.03 29.27 138.96 -0.67 -153.73 150.80 0.98 99.01 0.01 0.70 0.13 0.01 0.00 0.00 0.00 99.15 0.01 47 A E E 22.02 23.47 12.57 34.98 127.43 -166.28 -134.36 137.65 0.47 99.53 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.56 0.00 48 S E E 42.84 6.86 24.65 32.08 131.85 -176.42 -135.54 148.77 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 49 I E E 53.42 17.44 15.94 33.05 118.44 -146.36 -107.75 128.22 0.49 99.50 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.52 0.02 50 M E E 57.99 10.80 16.91 29.09 120.94 -167.08 -112.61 132.36 11.93 88.06 0.01 10.85 0.70 0.03 0.00 0.01 0.00 88.10 0.31 51 Y C C 137.77 5.45 17.17 23.74 116.69 -127.01 -85.09 140.94 88.48 11.50 0.03 81.81 5.14 0.20 0.00 0.02 0.00 12.57 0.25 52 P C C 72.97 9.82 11.67 22.32 112.44 -100.33 -67.75 145.04 95.76 3.91 0.33 79.10 14.49 2.13 0.06 0.34 0.00 3.02 0.86 53 S C C 49.58 6.19 11.03 19.03 127.37 -156.26 -112.28 165.59 92.77 6.55 0.68 75.36 14.09 2.09 0.19 0.53 0.00 2.06 5.69 54 N C T 140.04 0.87 12.30 13.03 92.99 -95.59 -67.75 -20.12 98.15 0.52 1.33 1.41 18.05 78.65 0.08 1.29 0.00 0.31 0.22 55 N C T 112.91 2.86 12.33 16.25 99.02 43.84 -95.99 -2.81 98.61 0.47 0.92 2.69 15.12 80.67 0.06 0.99 0.00 0.28 0.18 56 C C C 30.72 14.37 7.64 21.80 126.02 70.10 -116.29 145.48 85.60 13.67 0.73 61.95 21.52 1.67 0.23 0.54 0.00 4.91 9.16 57 D C S 120.38 1.42 17.38 18.36 95.52 -150.14 -84.42 -10.85 97.29 2.54 0.17 18.49 76.36 2.62 0.03 0.14 0.00 2.07 0.31 58 K C S 84.48 9.05 15.64 25.93 123.78 72.83 -103.77 144.91 87.90 11.91 0.18 16.60 69.93 1.74 0.02 0.15 0.00 10.84 0.71 59 I C C 48.69 13.19 18.30 32.37 117.50 -131.00 -93.97 133.66 53.75 46.14 0.10 50.83 1.93 0.20 0.03 0.07 0.00 46.24 0.70 60 E E E 17.94 18.56 20.25 38.93 128.99 -167.46 -123.69 146.97 7.83 92.15 0.01 7.27 0.61 0.03 0.00 0.01 0.00 91.91 0.17 61 V E E 7.05 21.15 22.26 43.79 119.91 -142.38 -110.22 131.04 0.44 99.56 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.02 62 I E E 14.52 17.65 24.64 42.68 116.27 -155.76 -105.43 124.47 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 63 I E E 7.21 21.90 20.49 42.80 121.78 -167.72 -115.43 133.23 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 64 T E E 21.73 11.50 22.09 35.43 118.33 -157.06 -109.79 128.62 0.72 99.28 0.01 0.66 0.03 0.00 0.00 0.00 0.00 99.26 0.04 65 L E E 19.59 15.43 14.25 31.18 114.16 -137.39 -85.70 132.21 16.11 83.74 0.15 14.33 1.39 0.22 0.05 0.09 0.00 83.24 0.69 66 K C T 107.40 7.24 14.74 23.31 95.96 -140.24 -66.67 -31.38 86.92 4.65 8.43 8.32 20.24 58.46 0.72 7.58 0.00 3.96 0.72 67 E C T 147.01 1.54 14.17 15.66 96.80 47.50 -75.45 -23.15 90.08 0.99 8.93 6.60 17.13 66.05 0.75 8.43 0.00 0.64 0.39 68 N C T 105.07 3.49 11.55 16.33 103.23 17.54 -107.55 20.61 89.30 2.09 8.61 15.68 20.03 53.16 0.72 8.51 0.00 1.25 0.65 69 K C T 150.65 3.16 12.77 17.60 98.70 -136.42 14.79 19.82 93.70 4.40 1.91 31.66 21.81 40.41 0.21 1.93 0.00 3.36 0.61 70 G C C 35.53 6.10 15.84 23.00 120.49 130.76 -40.47 174.58 68.42 30.82 0.76 46.77 14.92 5.34 0.10 0.80 0.00 31.28 0.79 71 Q E E 76.44 14.19 15.70 29.56 122.46 -105.55 -99.42 139.67 26.89 72.81 0.30 24.07 2.09 0.34 0.08 0.22 0.00 72.41 0.80 72 R E E 75.96 13.15 22.23 35.19 132.17 -173.61 -130.87 149.24 4.49 95.32 0.19 3.93 0.68 0.13 0.08 0.11 0.00 94.29 0.79 73 C E E 21.07 20.27 19.99 39.71 117.33 -119.72 -84.96 139.82 8.69 91.22 0.09 7.45 0.95 0.11 0.06 0.05 0.00 89.26 2.12 74 L C C 12.54 21.50 18.47 40.06 117.79 -117.31 -76.65 148.44 62.20 37.70 0.09 50.41 12.52 0.23 0.04 0.06 0.00 32.08 4.66 75 N C C 54.03 9.75 23.90 34.25 107.40 -110.14 -77.31 117.56 99.69 0.29 0.02 97.19 2.44 0.14 0.00 0.01 0.00 0.14 0.08 76 P C T 37.26 18.38 13.45 31.97 92.16 -145.88 -66.05 -16.49 99.39 0.05 0.56 1.66 3.14 94.64 0.02 0.51 0.00 0.02 0.02 77 K C T 150.53 2.13 19.86 22.03 92.74 62.61 -85.74 -5.76 99.36 0.04 0.61 1.23 3.65 94.49 0.03 0.57 0.00 0.02 0.01 78 S C S 25.70 13.18 10.87 25.46 115.72 108.29 -72.36 138.89 98.88 0.62 0.50 37.42 61.11 0.32 0.27 0.13 0.00 0.11 0.65 79 K H H 146.03 1.96 19.11 21.21 91.60 -129.18 -61.18 -37.16 7.18 0.01 92.81 0.52 1.57 5.15 92.21 0.52 0.02 0.00 0.01 80 Q H H 62.82 11.23 18.30 30.06 91.90 53.86 -64.55 -39.30 4.06 0.01 95.93 0.26 0.37 3.61 95.13 0.62 0.01 0.00 0.00 81 A H H 3.49 23.55 14.20 38.07 91.89 50.40 -64.43 -42.16 1.02 0.00 98.98 0.16 0.09 0.68 98.60 0.47 0.00 0.00 0.00 82 R H H 110.55 7.71 21.38 29.61 91.24 52.09 -62.74 -41.22 0.33 0.00 99.67 0.11 0.03 0.16 99.55 0.15 0.00 0.00 0.00 83 L H H 75.40 4.07 23.57 27.43 91.51 49.89 -64.15 -41.84 0.28 0.00 99.72 0.06 0.02 0.16 99.69 0.07 0.00 0.00 0.00 84 I H H 13.10 18.67 19.63 38.53 91.69 49.69 -63.76 -43.76 0.19 0.00 99.81 0.04 0.01 0.10 99.80 0.04 0.00 0.00 0.00 85 I H H 20.22 19.20 18.97 37.89 91.59 50.03 -63.21 -42.44 0.18 0.00 99.81 0.03 0.01 0.10 99.80 0.05 0.00 0.00 0.00 86 K H H 108.43 3.48 22.99 26.12 91.63 50.61 -63.93 -41.22 0.41 0.00 99.59 0.07 0.02 0.25 99.56 0.09 0.00 0.00 0.00 87 K H H 84.09 6.59 20.76 27.98 91.92 49.82 -65.39 -41.23 1.00 0.00 99.00 0.14 0.06 0.68 98.91 0.19 0.00 0.00 0.00 88 V H H 15.76 17.79 15.38 33.59 92.37 49.96 -65.03 -41.49 2.76 0.01 97.22 0.47 0.25 1.84 96.98 0.46 0.00 0.01 0.00 89 E H H 84.31 8.73 17.29 26.83 92.19 51.92 -65.24 -38.28 8.63 0.06 91.31 1.82 0.90 5.49 90.69 1.02 0.01 0.03 0.03 90 R H H 146.85 2.27 17.44 19.66 93.19 52.46 -68.17 -33.36 18.86 0.18 80.96 4.79 2.32 11.47 79.22 2.01 0.02 0.08 0.09 91 K H H 102.15 6.89 14.34 22.37 95.89 54.83 -74.78 -24.98 28.76 0.43 70.80 10.48 4.80 14.02 67.51 2.76 0.03 0.19 0.21 92 N H H 78.87 8.35 13.12 22.46 100.03 56.62 -83.29 -2.76 43.11 0.97 55.92 21.80 6.22 15.92 51.44 3.69 0.02 0.45 0.45 93 F C H 112.92 6.68 12.18 20.24 106.26 87.86 -87.26 53.38 50.29 1.69 48.02 30.60 7.47 12.93 42.43 5.01 0.02 0.85 0.70 94 H C H 116.93 5.00 12.21 18.75 108.87 136.53 -90.59 98.14 56.10 2.34 41.56 35.69 8.10 12.36 36.52 5.20 0.02 1.25 0.87 95 H C C 117.21 5.51 11.50 18.58 110.29 109.88 -92.09 112.37 61.88 2.53 35.58 39.38 9.55 12.54 30.99 5.22 0.01 1.34 0.97 96 H C C 112.22 6.10 10.92 18.56 112.64 -167.21 -95.65 121.02 68.09 2.26 29.65 45.57 10.70 10.85 26.16 4.64 0.01 1.16 0.92 97 H C C 121.51 4.81 10.89 17.41 111.63 -162.01 -94.08 118.59 71.25 1.84 26.91 47.82 10.74 11.65 23.29 4.76 0.00 0.94 0.79 98 H C C 122.65 4.80 10.30 16.76 110.10 -159.19 -91.84 106.58 71.37 1.64 26.99 45.80 11.49 13.50 21.64 5.97 0.01 0.83 0.76 99 H C C 119.87 4.77 9.67 16.16 110.96 142.88 -93.54 114.47 69.04 1.86 29.09 43.25 11.91 13.66 21.32 8.00 0.01 0.96 0.88 100 H C C 128.83 3.76 9.35 14.84 107.83 -166.88 -89.59 86.97 68.55 2.37 29.08 40.79 12.62 15.15 19.86 9.23 0.01 1.27 1.07 101 H C C 131.97 3.44 8.77 13.93 108.28 92.08 -89.19 97.86 72.07 2.87 25.06 44.21 12.24 15.60 16.54 8.54 0.01 1.67 1.20 102 H C C 133.53 3.48 8.40 13.68 109.27 94.86 -90.23 100.02 82.87 1.88 15.25 68.79 3.10 11.90 10.25 3.97 0.00 1.12 0.87 103 H C C 137.28 3.45 10.69 15.89 109.60 -147.72 -92.36 108.08 99.79 0.09 0.13 99.53 0.15 0.19 0.06 0.01 0.00 0.05 0.01