# 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 T C C 81.66 6.13 13.26 20.69 116.35 -160.39 -98.33 129.18 99.84 0.08 0.08 99.75 0.09 0.05 0.06 0.00 0.00 0.03 0.01 1 N C C 78.19 7.30 10.09 18.80 110.06 -152.12 -91.97 114.82 79.53 0.45 20.02 74.58 0.71 2.76 21.10 0.49 0.00 0.15 0.21 2 K H H 135.81 2.24 13.21 16.06 96.39 -140.37 -68.84 -32.93 24.39 0.28 75.33 16.36 3.36 3.98 75.38 0.70 0.00 0.10 0.12 3 I H H 80.94 5.41 13.46 20.37 93.45 57.50 -65.33 -41.10 5.28 0.09 94.63 2.77 0.80 1.77 94.07 0.54 0.00 0.04 0.02 4 I H H 55.58 9.71 12.78 23.84 92.56 49.57 -65.49 -41.03 1.71 0.04 98.25 0.90 0.22 0.64 97.81 0.39 0.00 0.02 0.01 5 Q H H 95.26 3.39 15.73 19.95 91.94 51.64 -64.28 -40.73 0.93 0.02 99.05 0.44 0.11 0.37 98.81 0.26 0.00 0.01 0.00 6 Q H H 98.87 2.32 17.00 19.16 92.28 50.45 -65.11 -41.28 0.87 0.01 99.11 0.32 0.09 0.41 99.00 0.17 0.00 0.01 0.00 7 I H H 58.82 7.32 15.23 24.17 92.42 49.20 -64.99 -41.97 0.98 0.01 99.01 0.31 0.09 0.50 98.90 0.19 0.00 0.01 0.00 8 E H H 78.34 8.35 15.21 24.62 92.12 50.98 -63.99 -40.85 1.51 0.01 98.48 0.43 0.14 0.81 98.35 0.25 0.00 0.01 0.00 9 A H H 56.94 2.91 16.39 19.78 92.16 51.02 -64.79 -39.96 3.91 0.02 96.07 0.79 0.36 2.57 95.42 0.83 0.01 0.01 0.01 10 E H H 106.92 2.86 16.67 19.85 92.56 50.14 -67.28 -37.00 9.93 0.03 90.03 1.14 0.76 7.58 89.28 1.20 0.01 0.01 0.02 11 Q H H 69.40 10.01 13.14 24.08 93.91 51.58 -71.30 -27.90 25.16 0.14 74.71 4.34 2.42 17.97 73.25 1.85 0.02 0.05 0.09 12 M C H 93.62 8.18 12.46 21.86 95.40 65.14 -72.30 -20.78 50.93 0.76 48.31 17.71 7.63 26.28 44.20 3.40 0.04 0.31 0.43 13 N C T 121.98 1.86 14.80 16.96 97.70 57.76 -85.92 3.32 73.97 1.04 25.00 32.25 8.74 32.70 21.12 4.15 0.01 0.50 0.54 14 K C C 108.52 6.98 11.32 19.95 116.51 108.81 -88.30 142.05 90.88 1.60 7.52 58.54 23.44 8.89 5.17 2.35 0.00 0.82 0.78 15 E C C 145.25 2.13 16.46 19.29 112.05 -117.82 -84.92 129.28 93.74 3.62 2.64 83.25 6.90 3.53 1.34 1.15 0.00 1.83 2.00 16 I C C 50.85 18.29 10.05 27.18 117.15 -145.33 -94.68 132.06 98.45 1.45 0.10 90.06 8.35 0.19 0.04 0.04 0.00 0.68 0.64 17 P C C 49.08 9.61 17.01 27.95 115.70 -110.64 -66.92 150.84 99.51 0.34 0.15 94.30 4.04 1.23 0.02 0.14 0.00 0.19 0.09 18 A C C 70.72 6.33 21.09 28.25 113.44 -108.29 -75.74 137.02 98.46 1.37 0.17 89.28 7.59 1.63 0.02 0.21 0.00 0.54 0.72 19 F C C 16.84 23.53 11.22 34.26 122.77 -159.44 -109.26 140.79 93.89 6.07 0.05 91.00 2.56 0.07 0.02 0.02 0.00 1.10 5.23 20 A C C 52.08 4.53 24.62 28.91 131.09 -159.27 -119.05 162.40 99.85 0.14 0.01 99.42 0.47 0.01 0.00 0.00 0.00 0.03 0.06 21 P C T 72.14 11.11 15.59 27.29 110.68 -77.52 -59.43 137.60 99.83 0.08 0.09 0.16 1.42 98.30 0.00 0.05 0.00 0.04 0.02 22 G C T 39.84 5.16 19.75 25.98 96.05 25.92 90.89 -7.08 99.90 0.06 0.05 0.27 1.40 98.26 0.00 0.03 0.00 0.04 0.00 23 D C C 34.10 13.13 16.50 30.93 118.76 130.82 -72.51 149.35 93.18 6.81 0.01 92.12 1.28 0.02 0.00 0.00 0.00 6.43 0.14 24 T E E 52.18 10.20 22.55 33.33 119.80 -134.33 -103.62 133.62 1.31 98.69 0.00 1.38 0.02 0.00 0.00 0.00 0.00 98.48 0.11 25 V E E 5.08 24.48 16.53 41.59 125.69 -169.26 -121.52 141.19 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 26 I E E 45.45 9.61 25.66 36.42 115.74 -140.84 -102.82 125.86 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 27 V E E 3.60 25.55 16.80 43.43 119.67 -164.74 -110.28 129.17 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 28 Q E E 53.94 9.38 25.60 35.63 119.99 -162.41 -113.11 130.47 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 29 V E E 9.28 22.43 16.23 38.98 123.82 -167.51 -119.14 134.56 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 30 K E E 75.67 7.92 22.70 31.34 117.13 -151.87 -104.26 127.62 1.07 98.93 0.00 0.99 0.02 0.00 0.00 0.00 0.00 98.97 0.01 31 V E E 21.16 17.55 13.09 31.08 124.49 -170.90 -118.98 140.14 3.84 96.15 0.01 3.31 0.26 0.03 0.00 0.01 0.00 96.32 0.08 32 K E E 111.79 4.94 15.12 21.56 115.88 -139.51 -101.16 127.56 15.11 84.79 0.10 12.74 1.72 0.30 0.02 0.07 0.00 84.78 0.37 33 E E E 97.89 7.06 9.64 18.34 114.76 -177.23 -122.18 112.57 36.00 61.89 2.10 14.69 10.72 12.65 0.22 2.02 0.00 58.82 0.87 34 G C T 61.86 0.66 12.35 12.12 109.74 -42.33 65.35 -133.97 97.21 0.57 2.22 3.83 17.89 74.99 0.09 2.64 0.00 0.42 0.14 35 D C T 140.09 0.30 10.52 9.16 97.19 -26.33 -87.96 3.02 96.80 0.80 2.40 4.72 26.45 65.27 0.10 2.70 0.00 0.59 0.17 36 R E E 144.37 2.34 9.80 13.95 122.11 90.09 -104.06 144.12 31.42 68.27 0.32 17.92 13.03 2.64 0.05 0.31 0.00 64.96 1.09 37 Q E E 112.40 6.08 9.80 17.97 118.56 -145.48 -99.97 134.02 17.76 82.17 0.06 15.00 1.61 0.30 0.01 0.05 0.00 82.77 0.26 38 R E E 108.72 5.63 14.40 21.88 127.76 -176.55 -128.71 146.35 5.80 94.18 0.02 4.96 0.42 0.06 0.00 0.01 0.00 94.45 0.09 39 L E E 88.29 9.70 13.91 24.71 117.23 -127.02 -91.02 133.09 2.16 97.84 0.00 1.96 0.08 0.00 0.00 0.00 0.00 97.93 0.02 40 Q E E 58.37 11.38 16.81 29.25 130.29 -174.48 -129.72 147.30 0.87 99.13 0.00 0.78 0.04 0.00 0.00 0.00 0.00 99.17 0.00 41 A E E 48.62 10.80 19.50 30.78 119.76 -130.82 -96.56 138.45 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 42 F E E 16.43 20.21 16.91 37.37 132.97 -176.34 -132.90 153.13 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 43 E E E 77.09 10.60 25.15 35.83 123.93 -143.60 -111.61 138.09 0.60 99.40 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.50 0.00 44 G E E 4.20 18.65 22.62 41.34 144.95 125.26 -159.41 -173.38 1.28 98.72 0.00 0.90 0.13 0.00 0.00 0.00 0.00 98.95 0.01 45 V E E 31.75 13.31 26.41 40.70 121.56 -69.24 -109.39 137.06 0.39 99.61 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.00 46 V E E 5.98 24.51 18.78 44.25 109.49 -118.02 -75.29 124.06 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 47 I E E 34.54 14.50 24.19 39.17 100.77 173.98 -99.26 -28.75 0.50 99.50 0.00 0.34 0.07 0.00 0.00 0.00 0.00 99.59 0.00 48 A E E 23.19 10.51 25.45 37.16 143.36 -1.92 -160.90 156.12 0.48 99.52 0.00 0.34 0.06 0.00 0.00 0.00 0.00 99.59 0.00 49 K E E 65.35 19.51 15.30 33.52 127.74 -155.01 -131.81 134.68 3.13 96.86 0.00 2.98 0.10 0.01 0.00 0.00 0.00 96.76 0.15 50 R E E 104.41 7.37 18.46 26.76 124.73 -169.76 -121.02 141.54 44.27 55.68 0.05 37.01 5.39 0.47 0.01 0.05 0.00 56.58 0.50 51 N C C 116.13 3.93 14.97 20.53 101.08 -74.78 4.74 61.16 79.28 20.60 0.13 41.47 34.65 2.55 0.01 0.15 0.00 20.66 0.51 52 R C C 143.91 4.29 12.55 18.41 113.73 145.59 -115.74 102.33 83.72 15.86 0.42 45.23 35.62 3.23 0.08 0.44 0.00 12.81 2.58 53 G C S 46.27 2.50 15.43 18.40 121.31 -47.09 79.46 -154.59 86.52 4.70 8.78 7.41 51.37 28.06 0.44 8.44 0.01 2.89 1.39 54 L C T 120.44 4.40 13.88 19.48 94.53 -33.05 -73.00 -20.20 89.59 0.84 9.57 1.95 20.33 65.65 0.17 11.12 0.00 0.51 0.27 55 N C T 85.76 7.38 15.98 24.23 102.30 47.99 -101.24 25.56 83.49 7.32 9.19 7.75 17.07 56.96 0.22 11.04 0.00 6.44 0.52 56 S C C 18.28 14.12 14.71 30.30 118.24 120.79 -85.21 143.92 59.84 39.77 0.39 54.75 3.03 0.63 0.04 0.34 0.00 40.63 0.59 57 A E E 21.63 12.79 22.17 35.78 134.68 171.34 -137.24 154.55 6.10 93.89 0.01 5.40 0.41 0.02 0.00 0.00 0.00 94.00 0.17 58 F E E 11.71 22.46 19.66 42.22 124.06 -149.81 -120.12 139.36 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.57 0.01 59 T E E 20.72 13.65 25.30 39.81 122.14 -157.47 -114.68 136.04 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 60 V E E 5.39 23.69 19.84 43.95 122.49 -166.02 -115.57 134.12 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 61 R E E 61.63 13.61 23.72 37.18 124.40 -167.38 -117.49 136.68 0.46 99.54 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.00 62 K E E 48.86 14.59 18.96 33.71 131.59 -175.45 -129.70 149.99 1.14 98.85 0.00 0.93 0.09 0.00 0.00 0.00 0.00 98.97 0.01 63 I E E 63.90 11.22 16.17 28.54 116.66 -132.93 -103.84 126.00 3.92 96.07 0.02 3.26 0.42 0.03 0.00 0.01 0.00 96.18 0.09 64 S E E 42.75 9.80 11.85 23.14 125.97 168.75 -136.22 135.59 9.67 90.20 0.12 6.82 2.31 0.57 0.03 0.10 0.00 89.49 0.69 65 N C T 141.07 0.85 14.03 14.19 93.10 -13.66 52.35 43.65 99.32 0.41 0.27 0.45 6.55 92.40 0.01 0.24 0.00 0.29 0.05 66 G C T 58.44 2.27 13.20 16.12 94.76 -49.08 81.44 1.76 99.64 0.19 0.17 0.45 6.37 92.86 0.00 0.16 0.00 0.14 0.02 67 V E E 73.27 6.08 14.79 22.61 122.93 105.22 -111.90 135.75 5.11 94.86 0.03 3.41 1.40 0.13 0.01 0.02 0.00 94.72 0.31 68 G E E 25.74 13.14 14.18 27.85 119.82 -134.31 -88.66 143.52 2.68 97.32 0.00 2.09 0.26 0.01 0.00 0.00 0.00 97.60 0.03 69 V E E 35.54 12.95 18.40 32.57 125.29 -168.87 -125.97 136.76 1.00 99.00 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.07 0.01 70 E E E 77.07 14.31 18.50 32.52 122.02 -155.04 -110.94 132.70 0.97 99.03 0.00 0.81 0.04 0.00 0.00 0.00 0.00 99.15 0.00 71 R E E 65.73 14.14 20.19 34.32 130.36 -174.23 -131.79 143.91 0.27 99.73 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 72 T E E 53.55 13.56 21.47 34.74 122.31 -150.61 -114.25 133.62 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 73 F E E 21.46 19.47 18.12 37.59 130.91 -175.37 -130.47 147.21 0.61 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.02 74 Q E E 77.07 8.49 24.09 32.74 113.89 -114.34 -76.52 139.47 10.92 89.05 0.03 9.58 0.89 0.18 0.00 0.03 0.00 89.04 0.28 75 T C T 25.08 21.26 16.28 36.71 94.58 -121.09 -64.34 -27.36 90.89 7.94 1.17 15.16 21.53 53.92 0.07 1.37 0.00 7.37 0.58 76 Y C T 111.97 9.50 22.27 32.09 95.90 55.82 -89.40 4.43 95.17 3.85 0.97 16.42 23.89 54.64 0.06 1.29 0.00 2.91 0.78 77 S C C 14.48 18.75 14.16 33.31 113.12 125.55 -72.86 134.21 95.35 3.94 0.71 68.67 25.45 1.39 0.14 0.69 0.00 2.32 1.35 78 P C T 82.75 5.81 22.01 28.73 92.65 -134.20 -66.70 -18.82 96.05 1.72 2.23 3.92 22.38 69.80 0.26 2.09 0.00 1.28 0.26 79 I C T 43.50 15.08 18.78 33.95 95.20 61.48 -87.19 -8.86 82.93 14.25 2.81 6.08 10.24 67.48 0.41 2.47 0.00 12.67 0.64 80 V E E 8.07 25.06 12.44 37.60 110.95 99.83 -83.84 119.95 11.66 88.18 0.16 10.87 0.82 0.11 0.06 0.08 0.00 87.16 0.89 81 D E E 81.80 5.14 22.75 28.53 99.94 176.98 -93.79 -31.39 10.27 89.60 0.13 7.73 1.92 0.17 0.03 0.06 0.00 90.00 0.10 82 S E E 45.08 6.03 24.72 31.59 142.89 -0.56 -159.14 157.61 1.98 97.93 0.09 1.49 0.20 0.04 0.02 0.03 0.00 98.20 0.02 83 L E E 20.39 24.28 13.39 37.20 126.84 -160.85 -132.38 134.10 0.97 98.96 0.07 0.88 0.03 0.00 0.02 0.02 0.00 99.03 0.01 84 S E E 46.47 6.68 25.59 32.59 125.88 -172.49 -124.42 142.85 0.76 99.17 0.06 0.69 0.03 0.00 0.01 0.02 0.00 99.24 0.01 85 V E E 33.51 20.64 14.59 34.56 118.40 -152.44 -105.47 127.26 1.80 98.15 0.04 1.73 0.05 0.01 0.01 0.01 0.00 98.14 0.04 86 K E E 96.56 7.36 20.44 28.36 116.08 -174.27 -114.10 132.78 7.33 92.60 0.07 6.57 0.52 0.06 0.02 0.03 0.00 92.61 0.19 87 R E E 117.07 10.30 15.71 26.48 123.06 -121.83 -117.28 138.14 23.80 76.00 0.20 21.19 1.99 0.28 0.07 0.12 0.00 75.75 0.61 88 R C C 128.66 8.41 14.62 24.08 116.60 -157.76 -102.41 131.66 65.55 33.17 1.28 50.63 11.16 2.79 0.37 0.86 0.00 32.94 1.25 89 G C C 36.43 6.21 15.18 22.43 129.42 51.93 131.56 -174.86 86.88 10.16 2.96 49.68 30.60 7.18 0.96 1.81 0.00 8.52 1.26 90 D C C 105.94 3.26 17.08 21.06 109.52 -66.90 -89.28 109.81 88.23 6.49 5.28 67.84 15.51 4.98 2.94 2.35 0.00 4.85 1.53 91 V C C 51.53 15.35 10.62 25.47 109.10 -157.85 -92.97 105.97 76.67 5.17 18.17 61.70 8.39 6.10 13.08 5.67 0.01 3.44 1.61 92 R C C 134.98 5.63 16.82 23.39 103.32 153.40 -84.67 -6.49 75.05 3.47 21.48 55.26 11.24 7.92 16.24 6.05 0.01 2.13 1.15 93 K C C 115.41 7.49 16.41 24.55 101.01 47.47 -80.76 -15.53 65.15 3.40 31.45 43.98 12.18 8.77 23.73 8.19 0.02 2.07 1.06 94 A C C 41.36 12.27 14.16 26.91 100.24 79.97 -74.94 -21.21 62.19 3.06 34.75 43.30 10.30 8.05 27.33 8.14 0.01 2.10 0.76 95 K C C 104.51 8.21 18.75 27.20 102.15 66.47 -81.06 17.87 57.92 6.44 35.64 42.66 7.73 7.23 28.77 7.20 0.02 5.23 1.16 96 L H H 39.14 16.74 14.50 30.89 98.62 72.74 -75.13 -20.46 41.66 12.25 46.09 34.43 4.13 3.86 38.16 7.27 0.02 10.98 1.15 97 Y H H 103.53 7.88 18.85 27.36 95.32 94.65 -69.64 -36.05 24.22 12.83 62.95 14.04 3.95 7.02 48.36 13.34 0.05 12.43 0.81 98 Y H H 83.65 9.56 18.03 28.31 94.84 53.18 -72.13 -32.61 20.16 14.68 65.16 10.81 3.35 6.72 48.33 15.59 0.08 14.33 0.81 99 L H H 33.38 17.57 14.30 31.62 93.69 62.36 -70.91 -30.19 14.74 10.71 74.55 8.47 2.48 4.36 51.75 21.60 0.04 10.76 0.53 100 R H H 115.86 9.03 16.26 26.09 92.68 63.57 -65.76 -31.20 24.18 8.40 67.42 9.07 4.21 10.89 47.12 19.70 0.24 7.85 0.92 101 A H H 74.41 3.37 17.91 21.58 95.73 54.21 -86.44 -7.84 43.35 5.03 51.62 12.53 6.97 22.86 35.48 16.91 0.26 3.92 1.05 102 L C C 51.70 14.98 9.81 24.48 112.39 94.40 -83.45 126.45 72.71 3.54 23.75 45.21 17.14 9.80 20.16 4.45 0.02 1.98 1.23 103 S C C 74.54 4.31 15.11 20.63 116.07 -166.25 -96.47 139.95 76.64 2.72 20.64 45.53 12.17 18.11 16.76 4.83 0.01 1.46 1.13 104 G C T 45.03 4.35 15.29 20.60 111.95 11.11 74.74 -145.04 65.05 1.29 33.66 18.23 21.36 26.19 23.71 9.16 0.06 0.58 0.71 105 K H H 129.21 5.03 15.34 21.43 96.45 -5.72 -70.37 -30.24 45.88 1.83 52.29 17.87 11.67 16.69 35.59 16.33 0.09 1.06 0.70 106 A H H 47.74 9.16 14.06 24.33 95.67 62.79 -69.19 -30.62 38.71 4.00 57.29 19.03 7.84 12.06 37.79 19.39 0.09 2.87 0.94 107 A H H 40.74 11.07 13.86 25.73 97.97 60.83 -75.18 -20.87 39.36 6.33 54.31 24.00 7.05 8.82 37.72 16.28 0.06 4.92 1.15 108 R H H 123.72 6.84 17.05 24.58 104.69 79.62 -84.37 37.40 43.42 11.80 44.78 28.99 7.77 7.56 34.10 10.05 0.08 9.51 1.95 109 I C H 64.06 12.94 12.41 25.55 108.00 97.27 -86.07 98.05 45.79 14.58 39.63 34.18 6.70 5.23 34.37 5.06 0.05 12.48 1.93 110 K C C 118.60 6.32 14.55 21.95 108.15 90.87 -88.69 75.28 49.19 14.73 36.07 36.18 6.45 5.81 31.71 4.88 0.04 13.24 1.69 111 E C C 114.78 5.94 12.08 19.45 108.39 72.50 -86.25 95.26 53.68 14.42 31.90 36.11 8.99 7.72 26.56 6.03 0.05 12.84 1.70 112 K C C 127.96 4.96 11.91 18.44 108.76 69.81 -86.62 101.33 59.92 14.25 25.83 40.43 9.05 9.20 20.78 6.07 0.03 12.62 1.81 113 L C C 100.89 6.36 10.26 18.01 106.93 -149.84 -87.81 75.27 73.27 9.50 17.23 62.55 2.09 8.13 13.97 3.34 0.00 7.63 2.29 114 V C C 84.91 7.51 11.48 20.21 110.44 103.91 -93.27 106.91 99.79 0.17 0.04 99.71 0.08 0.06 0.02 0.00 0.00 0.11 0.01