# 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 G C C 42.96 5.75 13.71 20.86 120.35 -155.12 107.97 154.76 99.82 0.16 0.02 99.66 0.16 0.06 0.01 0.00 0.00 0.09 0.02 1 R C C 163.00 3.55 11.50 16.89 114.51 -124.00 -96.27 130.05 83.62 14.23 2.15 79.38 1.73 2.59 0.98 0.88 0.00 11.66 2.78 2 H C C 123.46 5.42 9.84 16.98 115.49 -147.31 -95.14 129.94 73.42 23.04 3.54 56.73 10.33 5.85 1.41 2.19 0.00 19.42 4.06 3 L C C 117.34 3.87 12.65 18.19 111.72 -144.84 -90.93 122.91 72.19 24.91 2.91 53.70 13.85 3.29 1.75 1.42 0.01 18.26 7.73 4 L C C 58.87 14.24 9.61 23.67 117.39 -142.75 -95.66 134.30 89.96 8.33 1.71 72.51 17.04 0.85 1.51 0.40 0.00 5.47 2.21 5 P C C 59.25 6.54 15.27 23.41 114.54 -108.91 -66.44 150.07 96.15 0.85 3.01 93.96 1.56 0.77 2.81 0.24 0.00 0.45 0.19 6 A H H 67.71 5.73 15.50 22.32 93.86 -111.06 -60.21 -35.39 17.58 0.63 81.79 7.07 3.09 8.31 71.46 9.39 0.05 0.42 0.20 7 T H H 54.75 10.20 15.61 26.37 93.81 55.32 -67.11 -36.13 12.40 1.80 85.79 4.35 2.03 6.41 73.36 11.94 0.11 1.49 0.30 8 A H H 29.21 12.43 14.71 27.90 93.19 55.53 -67.69 -35.81 8.42 2.80 88.78 3.92 1.44 3.55 74.48 13.72 0.03 2.67 0.20 9 I H H 78.24 7.35 17.53 25.64 93.85 54.33 -69.23 -36.59 12.62 4.28 83.10 6.41 2.42 5.11 72.75 8.80 0.11 3.89 0.51 10 R H H 109.47 7.82 17.39 25.61 95.32 55.57 -72.54 -29.85 22.95 6.56 70.50 11.89 4.01 8.87 62.45 6.03 0.20 5.45 1.10 11 V H H 46.20 13.33 13.83 27.36 99.95 62.61 -76.00 -22.52 28.75 5.34 65.91 15.38 5.64 9.89 57.71 6.04 0.16 4.11 1.08 12 R H H 132.53 6.53 16.85 24.13 98.15 61.52 -69.39 -16.55 36.08 3.53 60.39 18.28 5.85 13.53 52.54 6.29 0.10 2.51 0.90 13 L H H 89.60 6.94 15.14 22.91 98.06 66.47 -76.66 -23.54 40.87 4.15 54.98 17.81 8.97 16.36 46.01 6.69 0.25 2.65 1.27 14 N C H 74.42 9.28 12.84 22.90 103.23 54.40 -90.47 30.36 57.86 3.75 38.40 31.18 10.34 17.48 32.07 5.36 0.08 1.89 1.60 15 R C T 130.51 7.33 13.27 21.53 101.14 117.33 -83.05 0.67 69.87 2.02 28.11 17.74 14.00 38.29 21.76 6.10 0.08 0.99 1.04 16 G C T 43.90 5.54 15.15 21.55 107.69 27.88 -11.66 -9.25 76.57 1.37 22.06 20.33 17.77 39.13 15.00 6.35 0.03 0.64 0.76 17 F C C 113.81 8.49 12.69 21.91 102.81 46.81 -85.32 4.57 65.43 3.53 31.03 34.46 16.93 14.89 21.26 8.98 0.06 1.63 1.79 18 E C C 109.56 6.61 14.64 22.25 103.37 69.01 -87.42 28.78 60.04 3.42 36.54 35.81 12.04 12.57 24.10 12.12 0.04 1.87 1.46 19 S H H 48.86 9.74 13.29 23.86 106.29 79.60 -79.93 57.23 43.92 3.03 53.06 22.87 8.52 12.60 27.96 25.17 0.05 1.81 1.02 20 A H G 57.82 6.52 16.16 23.53 96.20 82.97 -70.33 -27.36 30.23 2.86 66.91 10.41 5.84 13.47 31.39 36.20 0.09 1.91 0.68 21 W H G 88.78 11.63 15.68 27.75 94.50 63.70 -70.48 -29.18 26.91 3.37 69.72 7.73 5.01 13.53 29.53 41.02 0.13 2.32 0.75 22 Y H G 68.63 14.26 13.76 28.19 96.92 56.42 -85.52 -9.99 38.35 5.60 56.05 15.62 7.32 15.98 22.19 33.32 0.14 3.81 1.63 23 T C C 81.35 5.89 16.86 23.57 97.34 68.21 -88.67 -9.71 64.12 3.69 32.18 27.63 17.81 19.93 12.06 18.77 0.07 1.76 1.98 24 D C S 60.33 8.00 12.81 22.55 114.11 97.44 -83.23 133.71 96.07 1.64 2.30 39.95 55.12 0.84 2.16 0.27 0.00 0.35 1.30 25 V H H 100.06 3.24 15.04 19.44 93.06 -133.41 -60.78 -36.57 6.67 0.02 93.31 0.82 0.99 4.89 92.02 1.23 0.02 0.01 0.01 26 S H H 54.89 5.87 16.59 23.55 92.26 54.71 -65.34 -38.65 5.03 0.02 94.96 0.49 0.43 4.11 93.50 1.44 0.01 0.01 0.01 27 Y H H 48.53 14.20 14.75 29.58 92.79 50.54 -65.88 -40.71 1.19 0.00 98.80 0.25 0.12 0.74 97.88 1.00 0.00 0.00 0.00 28 R H H 89.75 8.73 17.60 27.05 91.91 52.65 -63.91 -40.89 0.55 0.00 99.45 0.16 0.05 0.28 99.21 0.29 0.00 0.00 0.00 29 E H H 96.23 3.62 21.03 24.54 91.77 50.56 -65.03 -40.96 0.45 0.00 99.55 0.09 0.04 0.26 99.50 0.12 0.00 0.00 0.00 30 M H H 46.51 12.10 18.88 31.68 92.22 50.20 -64.85 -42.23 0.33 0.00 99.67 0.05 0.02 0.20 99.66 0.06 0.00 0.00 0.00 31 I H H 39.85 15.06 18.55 33.72 91.68 49.81 -64.50 -41.93 0.24 0.00 99.76 0.04 0.01 0.14 99.77 0.04 0.00 0.00 0.00 32 K H H 102.07 5.58 22.16 27.90 91.88 50.86 -64.01 -41.60 0.23 0.00 99.76 0.03 0.01 0.14 99.78 0.03 0.00 0.00 0.00 33 K H H 86.83 7.99 22.11 30.44 91.95 49.66 -64.82 -41.27 0.25 0.00 99.75 0.03 0.01 0.16 99.77 0.02 0.00 0.00 0.00 34 D H H 24.52 17.54 19.09 36.46 92.00 50.96 -64.54 -41.60 0.38 0.00 99.62 0.05 0.02 0.23 99.66 0.02 0.00 0.00 0.00 35 F H H 73.15 10.28 22.04 32.40 91.65 50.62 -64.72 -40.95 0.31 0.00 99.69 0.04 0.02 0.18 99.74 0.02 0.00 0.00 0.00 36 L H H 73.75 5.55 23.92 29.54 91.68 50.61 -64.15 -41.61 0.31 0.00 99.69 0.03 0.01 0.20 99.72 0.03 0.00 0.00 0.00 37 L H H 24.52 16.64 20.52 37.18 92.09 50.04 -64.70 -42.24 0.31 0.00 99.69 0.04 0.02 0.20 99.69 0.04 0.00 0.00 0.00 38 A H H 20.39 17.04 20.06 36.85 92.03 51.72 -63.43 -42.11 0.26 0.00 99.74 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 39 K H H 114.36 3.88 24.99 28.94 91.80 49.92 -64.44 -41.52 0.42 0.00 99.58 0.04 0.02 0.29 99.58 0.07 0.00 0.00 0.00 40 L H H 60.56 8.45 23.07 31.96 92.02 49.18 -65.01 -41.95 0.72 0.00 99.28 0.07 0.04 0.52 99.28 0.10 0.00 0.00 0.00 41 A H H 8.48 21.18 18.28 39.51 91.85 50.91 -63.89 -42.47 0.87 0.00 99.13 0.13 0.06 0.57 99.03 0.21 0.00 0.00 0.00 42 S H H 39.08 11.63 20.94 32.74 91.60 51.54 -63.12 -40.96 2.28 0.01 97.70 0.28 0.15 1.68 97.38 0.49 0.00 0.01 0.00 43 S H H 58.42 3.22 23.28 25.79 91.97 50.57 -65.24 -41.00 4.84 0.03 95.12 0.54 0.35 3.71 94.63 0.72 0.01 0.02 0.01 44 F H H 51.31 13.18 19.75 33.18 92.48 49.47 -65.88 -41.86 6.86 0.17 92.97 1.43 0.84 4.65 91.90 1.01 0.03 0.09 0.05 45 V H H 25.32 18.46 16.98 34.97 92.84 49.15 -66.76 -40.37 11.31 0.92 87.77 4.09 1.92 5.86 85.81 1.49 0.05 0.56 0.22 46 N H H 89.58 5.73 20.42 26.73 93.55 52.39 -67.63 -34.55 23.50 1.38 75.11 8.70 3.23 12.16 72.09 2.49 0.06 0.91 0.37 47 R H H 130.19 4.85 19.97 25.13 95.71 52.81 -75.30 -26.08 29.94 2.06 68.01 11.14 5.26 15.03 63.00 3.51 0.13 1.28 0.65 48 S H H 32.86 14.26 15.10 29.28 101.96 61.92 -85.58 -2.96 40.89 3.83 55.28 20.77 8.36 13.84 49.82 3.67 0.11 2.16 1.27 49 S C H 42.56 10.71 16.58 27.80 106.46 66.71 -84.25 30.00 50.92 5.04 44.05 29.44 8.93 13.58 39.33 4.10 0.08 2.97 1.57 50 R H H 131.07 7.18 16.18 24.25 95.18 53.47 -67.93 -26.75 41.89 3.28 54.83 18.42 9.82 15.93 45.75 6.82 0.19 2.00 1.07 51 A H H 58.63 5.18 16.25 22.44 95.89 61.54 -69.88 -34.08 39.19 2.71 58.10 17.35 8.69 15.13 47.01 9.11 0.15 1.72 0.85 52 S H H 48.35 7.48 15.53 24.22 95.70 58.30 -70.16 -32.20 35.87 3.54 60.59 19.51 7.10 10.80 46.32 12.82 0.10 2.46 0.90 53 L H H 52.33 13.48 12.44 26.16 95.78 59.60 -69.98 -29.72 29.84 5.59 64.58 16.64 5.48 8.80 46.72 16.80 0.11 4.45 1.01 54 R H H 128.65 6.87 14.27 22.28 96.81 65.35 -70.66 -28.10 32.09 7.32 60.59 16.56 5.58 10.51 42.06 18.13 0.13 5.77 1.25 55 Q H H 122.91 2.89 15.36 18.93 97.19 57.58 -76.89 -20.78 43.06 8.30 48.63 20.96 7.13 15.89 32.40 15.55 0.16 6.15 1.76 56 I C C 89.84 7.79 13.53 22.18 100.77 50.28 -88.55 -18.91 62.39 6.31 31.30 32.30 13.49 17.73 21.99 8.30 0.13 3.86 2.19 57 F C C 78.45 10.97 10.17 21.95 114.87 54.77 -109.92 113.35 95.08 2.51 2.42 65.08 26.97 3.18 1.56 0.84 0.00 1.25 1.13 58 P C C 90.97 3.92 13.74 19.06 108.34 -125.14 -66.41 139.01 90.55 1.03 8.42 59.84 9.25 21.46 2.08 6.30 0.00 0.61 0.45 59 G C C 53.50 3.46 14.33 18.76 104.36 14.11 60.13 -2.65 84.68 1.77 13.55 38.77 15.47 30.98 2.60 10.43 0.00 0.93 0.82 60 G C C 36.21 10.23 11.60 22.21 106.84 92.12 -62.80 -0.20 76.33 3.86 19.81 42.17 16.74 17.73 3.16 16.55 0.00 2.15 1.51 61 K C C 121.51 6.19 14.70 22.09 107.20 91.01 -86.81 71.18 72.94 9.22 17.84 45.29 15.33 12.68 3.38 14.59 0.01 6.10 2.61 62 D C C 87.64 6.92 16.39 24.30 110.20 57.00 -88.14 115.04 74.05 11.93 14.03 49.24 14.39 9.95 2.82 11.67 0.01 7.84 4.08 63 F C C 49.65 16.89 11.77 28.09 110.28 63.44 -102.21 107.83 90.90 6.69 2.41 73.48 14.77 2.38 0.87 1.58 0.00 4.24 2.67 64 P C T 74.24 7.38 16.72 25.13 100.66 -146.08 -67.70 -18.57 92.64 3.54 3.82 27.20 11.02 54.96 0.82 2.79 0.00 2.31 0.88 65 N C T 105.86 4.80 18.80 24.13 98.07 40.37 -87.22 13.81 91.91 4.00 4.10 18.03 15.38 58.60 0.67 3.47 0.00 3.11 0.74 66 F C C 44.43 19.34 13.01 31.47 115.75 123.14 -90.15 131.88 82.16 14.78 3.06 61.63 16.04 3.52 0.92 2.50 0.00 9.43 5.96 67 R C C 110.13 9.06 22.42 31.60 118.20 -159.61 -105.67 124.29 80.46 17.74 1.80 70.03 7.62 1.97 0.64 1.25 0.00 13.25 5.25 68 T C T 41.13 18.21 18.29 35.24 99.75 -141.38 -72.64 -18.38 62.51 19.69 17.80 21.54 14.83 28.54 2.39 14.62 0.04 16.18 1.87 69 S C T 31.41 15.59 20.50 35.17 107.07 76.00 -92.51 26.20 55.56 26.61 17.83 17.12 13.26 26.97 2.04 14.67 0.03 24.65 1.25 70 R C E 80.62 13.36 23.59 36.34 116.51 82.79 -105.93 126.69 44.10 40.47 15.42 29.14 10.12 6.92 2.49 11.45 0.02 38.78 1.07 71 I E E 15.22 23.26 18.39 41.17 125.33 142.54 -120.71 136.18 14.44 83.61 1.96 11.83 1.98 0.92 0.93 0.88 0.00 82.92 0.55 72 F E E 44.47 13.98 24.94 39.05 124.18 -167.35 -118.52 137.19 3.09 96.35 0.56 2.65 0.29 0.17 0.30 0.18 0.00 96.25 0.15 73 M E E 34.82 20.03 19.50 38.74 121.50 -161.13 -115.78 129.88 2.44 97.28 0.29 2.10 0.18 0.09 0.14 0.08 0.00 97.33 0.08 74 Q E E 53.36 12.33 21.73 34.38 121.75 -169.65 -118.40 131.48 4.46 95.25 0.28 3.36 0.62 0.22 0.11 0.10 0.00 95.48 0.11 75 H E E 82.56 12.19 17.88 30.34 114.60 -149.55 -100.23 122.41 14.87 84.81 0.32 10.79 3.29 0.77 0.10 0.19 0.00 84.49 0.37 76 L C C 46.16 11.05 14.66 27.04 127.50 171.99 -118.10 156.08 58.76 40.92 0.32 49.25 6.25 1.08 0.07 0.24 0.00 42.39 0.72 77 P C T 88.89 5.36 15.93 22.34 94.83 -92.84 -62.02 -27.45 97.15 1.12 1.73 8.44 40.68 48.38 0.26 1.21 0.00 0.82 0.21 78 Y C T 143.82 5.38 15.64 21.74 101.73 18.97 -107.31 -8.64 95.60 1.99 2.41 7.08 42.68 46.34 0.48 1.57 0.00 1.57 0.29 79 K E E 77.45 9.31 18.24 28.37 137.73 25.06 -147.76 155.14 42.15 56.15 1.70 25.99 12.91 3.77 0.76 0.95 0.00 54.88 0.74 80 S E E 16.58 18.37 16.89 35.35 125.20 -146.78 -118.74 142.67 11.70 87.53 0.77 9.46 1.34 0.50 0.50 0.31 0.00 87.61 0.29 81 Y E E 38.12 14.78 23.67 38.91 124.96 -163.66 -122.76 135.92 2.20 97.32 0.48 1.83 0.21 0.11 0.36 0.12 0.00 97.28 0.09 82 A E E 6.81 22.19 21.66 43.71 121.20 -162.29 -113.14 129.48 1.42 98.19 0.39 1.18 0.12 0.07 0.28 0.09 0.00 98.21 0.05 83 S E E 12.10 18.16 24.89 42.70 123.29 -169.74 -116.05 134.72 1.78 97.84 0.38 1.47 0.17 0.09 0.21 0.11 0.00 97.88 0.06 84 T E E 13.01 19.90 23.87 43.34 122.72 -165.54 -116.77 132.18 3.76 95.81 0.44 2.87 0.54 0.21 0.18 0.17 0.00 95.94 0.09 85 F E E 19.57 19.95 22.51 41.95 127.49 -171.66 -123.45 141.44 6.86 92.61 0.53 5.53 1.03 0.36 0.22 0.24 0.00 92.32 0.31 86 S E E 20.61 15.11 23.72 38.96 125.61 -159.66 -120.40 139.09 15.95 83.42 0.63 13.12 2.44 0.81 0.22 0.36 0.00 82.25 0.81 87 Y E E 42.40 18.43 18.40 36.46 119.63 -150.15 -106.92 132.37 38.42 60.85 0.73 27.99 9.88 1.73 0.22 0.54 0.00 57.56 2.07 88 V C C 62.52 9.89 20.76 31.02 118.62 -152.96 -104.74 132.48 65.47 34.12 0.42 48.26 16.66 1.12 0.14 0.34 0.00 29.50 3.97 89 A C C 45.55 11.04 15.26 27.10 115.73 -112.99 -74.87 143.36 92.18 7.65 0.17 84.88 7.09 0.49 0.05 0.13 0.00 6.19 1.16 90 P C C 47.63 10.92 10.79 22.96 113.95 -107.65 -67.18 151.20 93.84 5.45 0.71 89.98 2.60 1.41 0.23 0.40 0.00 2.90 2.48 91 K C T 166.14 1.38 12.05 14.25 94.73 -119.07 -69.41 -28.57 98.13 1.03 0.84 12.61 39.75 45.87 0.13 0.69 0.00 0.56 0.40 92 D C T 122.67 0.95 12.34 12.87 107.55 37.05 -101.25 37.71 97.83 1.16 1.00 7.68 45.14 45.18 0.12 0.82 0.00 0.65 0.41 93 G C S 34.88 5.22 11.20 18.10 128.46 8.32 125.67 177.94 97.21 2.10 0.70 35.94 59.17 2.24 0.16 0.49 0.00 0.90 1.10 94 P C C 92.59 4.40 12.51 18.24 104.19 -50.00 -69.80 112.32 83.54 2.10 14.36 34.99 22.10 27.00 2.98 10.90 0.00 1.08 0.95 95 Q C C 109.60 5.97 12.51 19.82 107.17 68.41 -86.41 96.01 72.69 7.99 19.32 35.92 16.34 21.73 5.20 13.17 0.04 4.47 3.13 96 A C C 51.67 10.13 11.83 22.79 109.77 79.63 -88.25 116.33 70.90 9.22 19.88 47.57 12.22 11.14 5.70 14.26 0.01 6.41 2.67 97 K C C 121.71 5.99 16.10 23.23 113.39 -158.00 -98.99 126.82 67.45 15.68 16.87 36.04 16.30 16.02 5.82 10.42 0.06 11.78 3.55 98 Y C C 102.28 11.87 14.16 26.25 115.76 -137.33 -97.38 133.49 65.71 20.44 13.85 31.01 16.79 19.84 4.87 8.10 0.13 15.44 3.82 99 G C C 28.87 10.53 16.79 27.70 123.85 141.89 -141.34 170.93 68.66 22.89 8.45 35.18 19.53 15.76 2.74 5.30 0.04 18.55 2.91 100 L C C 75.31 11.85 16.07 28.00 111.37 -96.34 -94.81 120.29 56.45 33.25 10.29 29.57 18.17 11.16 4.44 5.45 0.16 27.03 4.03 101 F E E 78.65 12.21 14.45 27.19 116.78 -148.84 -99.23 132.47 43.72 45.23 11.04 28.53 10.57 6.70 6.11 5.17 0.21 37.95 4.77 102 Q E E 100.77 7.87 15.34 24.16 111.66 -144.43 -86.52 125.80 44.22 44.37 11.41 32.39 7.14 5.66 6.25 5.51 0.05 39.24 3.75 103 S C C 55.02 9.81 11.27 21.91 115.63 -130.91 -98.68 136.97 57.64 30.81 11.55 37.92 11.92 9.11 4.58 6.44 0.04 27.41 2.57 104 K C C 145.43 3.11 13.38 17.96 110.79 -136.13 -91.00 116.58 69.19 23.47 7.34 58.60 2.71 7.48 2.99 3.50 0.00 21.03 3.69 105 L C C 85.41 10.28 10.99 21.85 108.42 -136.32 -86.29 108.15 99.56 0.41 0.02 99.48 0.14 0.06 0.01 0.00 0.00 0.28 0.03