# 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 P C C 83.76 6.51 15.48 23.18 112.88 -99.79 -69.20 143.30 99.95 0.04 0.01 99.79 0.14 0.04 0.00 0.00 0.00 0.02 0.00 1 L C C 77.01 11.28 12.16 24.03 117.61 -139.77 -97.92 133.80 85.53 13.58 0.89 82.45 1.68 2.02 0.24 0.56 0.00 10.11 2.94 2 D C C 95.30 5.20 17.17 23.80 116.56 -142.63 -96.94 126.36 79.66 19.07 1.26 69.41 6.91 2.52 0.35 1.03 0.00 14.51 5.26 3 I C C 36.13 19.73 13.44 32.19 121.17 -166.27 -109.78 136.12 82.44 16.42 1.14 74.40 5.97 1.97 0.29 0.92 0.00 12.82 3.63 4 Q C C 72.39 10.15 24.00 34.20 101.74 -150.01 -85.66 31.59 86.16 12.98 0.86 48.33 34.67 3.70 0.23 0.75 0.00 9.37 2.94 5 V C C 4.26 25.92 14.25 40.65 122.40 103.69 -112.26 136.52 86.01 13.49 0.50 71.72 12.21 1.05 0.23 0.31 0.00 6.06 8.41 6 F C C 80.06 8.46 24.46 32.90 131.73 -165.55 -119.28 158.91 95.90 3.90 0.20 95.08 1.23 0.16 0.05 0.10 0.00 1.92 1.45 7 R C T 113.71 11.73 17.05 28.79 110.03 -86.58 -61.32 138.13 99.24 0.52 0.23 0.17 1.19 98.23 0.01 0.11 0.00 0.22 0.07 8 E C T 122.83 4.39 21.59 26.56 93.75 19.34 75.11 0.67 99.79 0.12 0.08 0.14 1.25 98.48 0.00 0.05 0.00 0.07 0.00 9 D C C 23.06 17.03 14.92 32.67 117.90 137.34 -72.66 147.24 97.79 2.21 0.00 95.88 2.02 0.03 0.00 0.00 0.00 2.00 0.07 10 T E E 54.41 8.79 25.22 34.61 115.58 -123.66 -90.22 131.67 2.43 97.57 0.00 2.75 0.04 0.00 0.00 0.00 0.00 95.97 1.24 11 V E E 2.86 26.18 16.78 43.79 131.63 -174.37 -129.96 148.74 0.48 99.52 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.47 0.02 12 R E E 78.77 9.80 26.95 37.53 119.80 -143.58 -111.88 131.82 0.85 99.15 0.00 0.86 0.02 0.00 0.00 0.00 0.00 99.05 0.06 13 I E E 11.14 22.54 16.31 39.57 109.24 -122.91 -77.17 123.27 12.61 87.32 0.07 12.49 0.41 0.06 0.02 0.04 0.00 86.05 0.94 14 L C C 53.32 10.53 21.38 32.92 100.09 176.39 -98.31 -27.19 90.42 9.31 0.28 62.63 23.69 3.68 0.03 0.33 0.00 9.03 0.60 15 N C S 72.26 4.75 22.62 28.09 140.91 7.96 -154.07 157.32 96.85 2.82 0.33 7.26 83.09 6.82 0.03 0.28 0.00 1.79 0.74 16 G C S 34.55 4.71 18.84 24.83 129.46 35.02 94.74 -166.48 96.39 1.26 2.34 4.76 84.98 6.87 0.18 1.90 0.00 0.41 0.91 17 P C T 105.00 3.22 18.46 22.51 92.82 -46.13 -68.63 -21.55 92.76 0.51 6.74 0.98 13.09 78.16 0.20 7.01 0.00 0.25 0.31 18 D C T 32.24 16.50 12.67 29.55 95.55 52.97 -96.95 7.16 94.60 0.45 4.94 2.91 8.10 82.78 0.23 5.51 0.00 0.28 0.20 19 K C T 104.11 10.42 14.07 25.78 110.97 131.77 -61.15 131.83 98.14 0.59 1.27 1.13 2.12 95.13 0.11 0.99 0.00 0.24 0.27 20 G C T 50.35 3.41 19.82 23.76 93.97 21.12 86.80 -2.78 99.05 0.35 0.60 1.17 2.75 95.03 0.03 0.73 0.00 0.25 0.04 21 L C C 56.27 12.71 16.67 30.11 119.10 128.75 -77.74 145.72 96.63 3.31 0.06 93.49 2.99 0.24 0.01 0.06 0.00 2.99 0.22 22 T E E 68.85 10.29 21.74 32.46 126.21 -151.73 -115.86 144.04 9.64 90.34 0.02 9.42 0.43 0.03 0.01 0.01 0.00 88.02 2.08 23 G E E 7.88 16.10 20.86 37.31 144.43 140.18 -168.77 -172.23 2.21 97.79 0.00 1.71 0.31 0.01 0.00 0.00 0.00 97.94 0.03 24 K E E 82.93 8.33 26.18 35.49 121.68 -85.09 -105.41 138.15 0.53 99.47 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.01 25 V E E 5.47 24.83 14.98 40.98 109.41 -115.11 -74.98 125.55 0.43 99.57 0.00 0.42 0.00 0.00 0.00 0.00 0.00 99.56 0.01 26 L E E 58.74 9.21 23.56 33.67 100.57 175.18 -96.27 -31.45 1.34 98.65 0.01 0.91 0.23 0.01 0.00 0.00 0.00 98.84 0.00 27 E E E 70.63 7.69 25.81 34.43 141.70 -0.91 -155.44 153.09 0.32 99.68 0.00 0.23 0.02 0.00 0.00 0.00 0.00 99.73 0.00 28 V E E 27.92 21.18 16.31 36.72 124.66 -155.23 -123.31 133.10 1.06 98.91 0.03 0.93 0.05 0.01 0.01 0.01 0.00 98.94 0.04 29 F E E 47.29 11.84 17.16 30.66 113.45 -146.47 -98.81 121.44 16.23 83.65 0.12 14.13 1.51 0.24 0.03 0.07 0.00 83.55 0.48 30 Q C C 108.09 7.25 16.30 24.74 100.84 -167.53 -85.67 -11.12 69.23 30.42 0.34 34.25 30.34 4.07 0.03 0.35 0.00 30.36 0.60 31 D C C 75.15 5.04 13.78 20.34 113.16 95.17 -101.78 112.68 86.76 12.19 1.05 45.54 32.91 8.73 0.17 1.02 0.00 9.95 1.70 32 P C T 90.05 6.19 10.93 18.75 95.23 -134.69 -64.51 -24.84 96.26 0.69 3.05 11.64 30.09 54.31 0.26 3.04 0.00 0.42 0.24 33 K C T 160.86 1.08 14.46 14.83 97.28 47.10 -81.67 -21.39 95.54 1.26 3.20 12.39 32.19 50.91 0.31 3.04 0.00 0.79 0.37 34 N C S 80.14 6.04 15.10 22.42 114.86 28.11 -125.55 98.52 84.41 13.53 2.07 29.14 43.55 12.40 0.26 1.90 0.00 10.67 2.08 35 P C C 32.17 15.99 14.23 30.70 113.47 -146.34 -71.07 136.67 80.95 18.30 0.74 67.44 7.64 3.88 0.13 0.62 0.00 19.60 0.68 36 K E E 48.47 13.33 22.52 36.03 131.08 -173.57 -125.98 148.79 24.08 75.87 0.05 20.86 2.25 0.21 0.01 0.04 0.00 76.16 0.47 37 I E E 5.24 24.17 19.63 44.43 121.34 -146.23 -112.21 131.62 0.72 99.28 0.00 0.61 0.04 0.00 0.00 0.00 0.00 99.31 0.03 38 F E E 37.51 12.48 26.32 39.69 117.92 -159.87 -108.48 127.45 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 39 V E E 5.17 24.36 17.20 42.24 118.23 -162.41 -108.71 126.00 1.05 98.95 0.00 0.98 0.02 0.00 0.00 0.00 0.00 98.96 0.03 40 E E E 86.78 8.71 23.05 31.84 116.93 -141.78 -88.43 139.98 27.92 71.70 0.38 11.96 8.29 7.35 0.03 0.38 0.00 71.70 0.29 41 G C S 29.15 8.20 21.05 30.03 111.65 20.60 92.56 0.98 76.58 22.77 0.65 16.22 42.21 17.10 0.04 0.67 0.00 23.22 0.55 42 R C C 86.77 15.18 17.00 31.30 110.02 -60.73 -91.75 107.78 65.66 29.06 5.29 37.59 17.68 12.70 0.70 4.41 0.02 25.29 1.61 43 N C E 63.68 10.69 18.90 29.97 107.33 65.65 -99.84 74.85 53.32 41.79 4.90 30.30 13.66 11.39 0.78 3.78 0.02 38.55 1.52 44 M E E 65.52 14.37 14.76 29.19 116.63 152.70 -96.84 132.23 26.99 70.48 2.52 21.60 4.40 1.84 1.03 1.36 0.00 68.18 1.58 45 R E E 103.71 8.60 16.50 26.21 124.56 -171.76 -118.71 140.80 12.58 85.92 1.50 10.37 1.69 0.81 0.86 0.65 0.00 84.61 1.02 46 K E E 109.98 8.21 13.78 23.32 117.34 -140.28 -98.28 133.04 11.73 87.18 1.09 9.86 1.24 0.58 0.55 0.46 0.00 86.78 0.53 47 K E E 96.63 7.21 12.37 21.29 122.31 -167.33 -113.86 140.71 15.80 83.10 1.10 12.45 2.26 0.94 0.46 0.53 0.00 82.90 0.45 48 K E E 126.01 4.37 10.81 17.12 114.56 -133.22 -92.82 127.75 22.08 77.06 0.86 18.32 2.42 0.88 0.32 0.45 0.00 76.90 0.71 49 I E E 95.89 5.59 8.94 16.29 109.20 -173.31 -103.12 101.85 36.28 62.76 0.96 30.17 3.68 1.37 0.29 0.53 0.00 63.16 0.80 50 R C C 169.21 1.54 9.92 12.28 116.36 -40.84 -104.10 141.41 66.86 31.59 1.55 49.93 7.81 5.86 0.42 0.90 0.00 34.38 0.71 51 M C C 143.91 1.59 9.08 11.74 110.11 -53.94 -83.15 125.89 95.05 4.05 0.90 76.75 7.55 10.28 0.23 0.57 0.00 4.33 0.29 52 F C C 160.75 2.28 9.45 13.12 106.39 -60.24 -78.57 84.30 90.85 8.34 0.81 68.49 9.90 11.18 0.17 0.62 0.00 9.28 0.35 53 V E E 80.16 4.47 9.95 16.40 121.35 132.20 -110.86 140.79 45.11 54.56 0.34 37.24 4.22 1.26 0.09 0.24 0.00 56.36 0.59 54 V E E 79.85 7.43 10.60 19.81 118.68 -143.50 -105.03 132.18 15.58 84.33 0.09 13.96 0.91 0.16 0.04 0.05 0.00 84.38 0.50 55 I E E 69.52 7.34 14.10 23.41 121.29 -165.46 -113.79 135.80 7.80 92.09 0.10 6.71 0.61 0.22 0.04 0.07 0.00 92.07 0.28 56 S E E 57.26 10.62 14.05 25.43 119.99 -150.18 -103.78 135.88 8.03 91.81 0.16 6.01 1.25 0.59 0.04 0.13 0.00 91.78 0.20 57 M E E 71.12 9.09 17.57 27.94 130.13 -177.67 -133.42 145.78 7.73 92.12 0.15 6.07 1.20 0.51 0.03 0.12 0.00 91.81 0.25 58 E E E 86.81 12.07 17.36 29.71 116.36 -122.83 -88.37 134.48 12.81 87.09 0.10 11.12 1.43 0.30 0.03 0.09 0.00 86.02 1.01 59 A E E 15.95 16.34 18.39 35.23 131.54 -175.38 -132.87 148.57 42.03 57.92 0.04 37.57 2.90 0.15 0.01 0.04 0.00 58.89 0.44 60 P E E 51.06 11.04 23.83 35.05 114.91 -106.33 -69.96 145.86 40.18 59.74 0.07 31.30 7.59 0.31 0.02 0.07 0.00 59.83 0.88 61 L E E 5.66 25.22 16.76 42.56 124.55 -155.31 -116.51 140.03 25.20 74.52 0.27 23.04 1.56 0.14 0.15 0.18 0.00 66.19 8.73 62 D E E 39.40 10.22 25.68 36.59 113.85 -125.19 -82.68 134.91 37.12 62.73 0.15 38.21 0.34 0.05 0.10 0.07 0.00 55.47 5.76 63 Y H G 41.04 21.62 17.13 38.23 91.64 -126.75 -61.51 -28.90 5.16 0.27 94.57 0.75 0.57 3.21 1.61 93.54 0.00 0.31 0.00 64 K H G 115.06 7.24 23.35 31.81 90.18 65.54 -71.43 -16.30 4.77 0.30 94.93 0.32 0.47 3.60 1.00 94.27 0.00 0.33 0.01 65 D H G 35.44 15.90 21.07 37.26 96.47 54.68 -99.16 1.53 6.00 0.43 93.57 0.62 0.73 3.91 0.62 93.62 0.00 0.48 0.01 66 V E E 3.91 26.01 16.91 43.62 122.33 88.89 -104.64 138.54 38.65 60.10 1.25 31.87 6.18 0.53 0.66 0.70 0.00 53.15 6.91 67 Q E E 45.08 13.79 25.79 39.39 124.66 -164.54 -117.96 140.09 19.07 80.79 0.14 18.38 0.76 0.10 0.07 0.07 0.00 78.03 2.58 68 L E E 36.22 17.59 21.92 38.90 115.40 -122.80 -83.30 132.90 16.23 83.65 0.12 14.43 1.50 0.17 0.05 0.08 0.00 82.28 1.49 69 V E E 27.28 16.15 16.99 33.81 120.39 -157.09 -110.42 131.13 17.27 82.56 0.17 14.86 1.23 0.10 0.17 0.06 0.00 62.86 20.72 70 D C C 39.23 8.61 16.22 27.28 108.49 -135.62 -92.85 112.35 74.46 25.44 0.09 72.47 1.87 0.18 0.03 0.05 0.00 22.40 2.99 71 P C T 68.08 9.95 12.35 23.91 93.04 -159.91 -65.52 -25.11 98.08 0.27 1.65 1.37 7.51 89.00 0.06 1.80 0.00 0.19 0.07 72 A C T 91.32 1.03 14.07 14.64 95.10 51.46 -73.12 -36.98 97.97 0.20 1.84 0.89 6.81 90.13 0.06 1.92 0.00 0.11 0.07 73 T C T 84.32 2.38 12.67 15.62 101.16 24.62 -102.58 -11.80 97.75 0.50 1.75 3.09 11.08 83.20 0.07 2.08 0.00 0.32 0.16 74 Q C C 119.15 6.24 11.31 19.51 95.23 -130.30 61.96 23.53 97.76 1.69 0.56 42.67 18.34 36.84 0.09 0.52 0.00 1.14 0.40 75 E C C 114.46 2.69 17.85 21.17 122.88 125.59 -104.44 143.82 70.57 29.26 0.16 43.85 27.76 0.90 0.05 0.16 0.00 23.75 3.54 76 P E E 67.46 12.38 14.33 26.94 114.37 -103.64 -64.68 145.88 27.04 72.53 0.44 22.52 2.51 0.48 0.30 0.22 0.00 51.99 21.97 77 G C C 20.21 12.61 18.11 31.15 139.48 169.34 -147.19 170.91 60.93 38.73 0.34 50.73 8.57 1.09 0.09 0.30 0.00 37.81 1.41 78 L E E 71.51 12.89 20.80 33.35 119.76 -95.15 -100.50 136.48 35.44 64.21 0.35 30.38 2.90 0.39 0.20 0.22 0.00 51.33 14.59 79 L C C 37.80 19.04 18.39 36.49 118.80 -156.30 -105.08 132.56 62.82 36.76 0.42 54.07 6.62 0.92 0.15 0.32 0.00 34.04 3.89 80 G C C 13.44 15.15 20.65 35.41 139.87 111.74 143.34 176.39 82.00 17.01 0.99 59.36 20.07 2.56 0.28 0.77 0.00 15.15 1.80 81 P C C 50.86 12.71 18.14 30.93 111.31 -55.29 -69.98 144.84 74.05 11.44 14.51 46.14 13.69 14.74 2.93 11.69 0.02 8.64 2.16 82 K C C 117.70 9.84 16.76 26.86 100.40 -131.26 -77.44 -7.82 73.38 8.39 18.24 31.22 20.02 23.82 3.79 13.49 0.06 5.34 2.26 83 D C C 101.20 4.46 17.65 22.89 101.21 52.75 -90.91 13.01 67.13 11.40 21.47 32.53 18.96 17.48 6.28 14.18 0.14 7.11 3.33 84 T C C 40.99 14.17 11.72 26.18 118.30 106.08 -99.03 139.90 75.74 10.09 14.17 43.43 25.81 6.85 9.75 4.74 0.05 6.29 3.08 85 S C C 55.10 4.44 19.19 23.79 116.51 -116.34 -77.08 155.01 79.30 7.55 13.15 61.28 12.41 4.84 11.42 2.81 0.01 4.62 2.62 86 V H H 65.66 13.39 12.45 25.90 93.14 -115.47 -61.28 -36.03 30.56 2.17 67.27 9.63 7.31 15.04 53.33 12.17 0.38 1.43 0.72 87 E H H 126.36 2.43 18.44 20.94 92.60 55.33 -64.92 -37.03 29.55 1.66 68.79 6.62 5.21 17.68 54.04 14.37 0.37 1.16 0.54 88 L H H 68.19 7.54 16.80 25.49 93.45 47.98 -72.77 -31.27 27.82 2.46 69.72 7.87 5.07 15.01 52.49 16.65 0.39 1.77 0.74 89 A H H 14.66 20.67 11.87 31.79 94.54 64.45 -67.56 -30.21 28.87 3.80 67.33 11.03 5.44 12.93 50.12 16.38 0.33 2.74 1.04 90 Q H H 101.34 7.95 18.83 27.25 94.51 61.70 -74.50 -17.95 44.40 7.34 48.26 11.10 7.91 25.06 33.33 14.85 0.64 5.42 1.69 91 K C T 122.87 4.72 20.42 25.40 102.68 55.75 -91.79 -3.16 52.28 12.19 35.53 15.81 10.28 26.93 22.80 12.19 0.63 8.95 2.42 92 V C C 34.77 18.79 13.46 31.50 115.07 130.30 -90.69 128.46 73.01 17.63 9.36 53.81 14.40 4.22 7.72 2.51 0.02 13.78 3.53 93 T C C 59.64 10.48 21.28 31.72 111.74 -167.08 -106.95 108.91 67.71 25.76 6.54 53.90 7.92 4.49 5.04 2.27 0.01 20.12 6.24 94 Y C C 59.20 17.46 16.82 33.48 114.02 53.93 -102.61 121.46 64.26 29.44 6.30 40.48 16.27 7.51 4.03 2.84 0.13 18.66 10.09 95 S C C 44.56 12.31 16.65 29.26 116.75 -165.80 -106.99 132.52 80.43 16.61 2.96 52.74 23.03 4.96 1.53 1.59 0.01 11.26 4.88 96 D C C 57.71 9.22 14.46 25.11 114.94 -132.85 -98.82 123.23 93.95 4.34 1.71 71.05 18.63 4.11 0.58 1.23 0.00 2.52 1.87 97 P C T 92.84 6.26 12.77 20.77 94.38 -137.11 -64.43 -21.82 92.32 0.83 6.85 18.95 14.51 58.55 1.09 6.03 0.00 0.51 0.37 98 S C T 86.28 1.89 14.43 16.60 96.67 57.06 -84.46 -6.44 91.02 1.19 7.79 18.23 15.65 56.85 1.29 6.74 0.00 0.70 0.55 99 H C C 82.73 11.18 10.15 21.72 111.94 80.96 -95.81 110.49 88.83 3.14 8.03 42.30 35.87 10.71 1.62 6.21 0.00 1.44 1.85 100 N C C 106.45 4.78 15.45 21.53 104.20 -147.86 -79.62 39.88 90.67 4.68 4.65 60.09 19.62 10.82 1.15 3.69 0.00 2.98 1.66 101 R C C 126.57 7.96 16.95 25.62 116.44 66.75 -99.21 135.89 80.77 15.28 3.94 54.17 19.91 6.29 1.52 2.63 0.01 7.98 7.49 102 F C C 37.93 20.07 11.53 30.67 117.47 -129.56 -92.00 136.35 86.11 12.51 1.38 62.24 23.19 1.11 0.98 0.51 0.00 6.32 5.64 103 P C C 46.33 8.96 16.59 27.21 113.32 -107.97 -65.54 146.78 90.87 5.54 3.59 87.07 2.81 1.42 2.72 0.84 0.00 3.47 1.68 104 L H H 101.66 6.41 15.51 23.28 93.88 -118.50 -60.50 -33.29 34.34 0.72 64.94 8.41 5.51 20.19 49.06 16.02 0.09 0.44 0.28 105 S H H 58.02 6.09 17.82 24.78 94.12 58.78 -70.15 -21.13 31.41 0.79 67.79 8.00 3.86 19.19 51.78 16.29 0.07 0.55 0.26 106 V H H 19.06 19.96 13.47 32.73 93.76 61.86 -71.26 -35.74 13.69 0.95 85.36 6.80 2.30 5.12 66.82 17.98 0.03 0.78 0.17 107 R H H 103.58 11.04 17.17 28.39 92.56 60.36 -63.33 -39.48 9.20 0.89 89.91 3.93 1.44 4.12 74.99 14.59 0.02 0.80 0.12 108 D H H 86.80 3.66 19.63 23.30 92.92 53.22 -68.82 -32.07 11.53 1.03 87.44 3.67 1.51 6.12 70.95 16.55 0.04 1.02 0.14 109 L H H 40.42 14.08 15.67 30.12 92.80 56.28 -67.85 -36.08 13.59 1.02 85.38 3.86 1.90 7.47 70.63 15.01 0.05 0.90 0.19 110 F H H 53.83 16.68 14.29 30.40 93.40 56.45 -69.88 -30.45 22.85 4.03 73.12 9.58 4.14 10.18 61.41 10.68 0.16 2.80 1.06 111 A C H 64.87 5.46 16.67 23.15 93.88 63.59 -70.00 -21.58 49.53 3.65 46.82 14.09 7.26 28.13 39.44 7.27 0.17 2.57 1.08 112 M C T 102.37 6.33 14.52 21.96 97.82 60.87 -83.15 -10.54 62.37 4.63 33.01 19.76 9.19 33.78 25.49 6.98 0.10 3.28 1.41 113 F C C 71.81 13.64 9.62 23.23 115.25 87.53 -98.07 124.35 96.17 2.72 1.11 85.21 9.08 1.79 0.93 0.24 0.00 1.80 0.95 114 P C C 84.03 5.39 15.37 21.97 108.92 -110.13 -68.71 138.90 99.95 0.04 0.01 99.87 0.07 0.03 0.00 0.00 0.00 0.02 0.01