# 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 K C C 104.83 8.19 21.46 29.85 120.24 -157.18 -103.58 135.30 99.63 0.37 0.00 99.67 0.05 0.01 0.00 0.00 0.00 0.26 0.01 1 Y E E 37.59 19.42 15.41 34.40 129.60 -172.81 -125.06 146.76 37.92 62.05 0.03 37.81 0.40 0.06 0.00 0.01 0.00 61.02 0.69 2 E E E 48.95 12.58 22.84 35.78 125.33 -162.62 -120.46 139.82 9.53 90.46 0.01 8.71 0.58 0.04 0.00 0.01 0.00 90.44 0.21 3 V E E 10.56 22.22 20.11 42.17 122.11 -157.87 -113.75 131.75 2.69 97.31 0.00 2.61 0.07 0.00 0.00 0.00 0.00 97.27 0.04 4 M E E 21.68 17.88 25.06 42.56 123.68 -166.46 -118.10 135.60 1.06 98.94 0.00 1.00 0.03 0.00 0.00 0.00 0.00 98.96 0.01 5 Y E E 10.73 23.48 24.02 46.77 125.48 -166.92 -120.50 135.96 0.25 99.75 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 6 I E E 13.26 20.20 26.95 46.55 116.92 -158.74 -108.04 124.67 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 7 I E E 6.80 23.54 21.00 44.33 129.03 -176.16 -123.90 146.65 1.79 98.21 0.00 1.78 0.03 0.00 0.00 0.00 0.00 97.99 0.19 8 R C C 60.67 12.73 21.75 34.84 112.59 -107.50 -72.15 136.46 85.92 14.07 0.01 86.32 0.44 0.02 0.00 0.00 0.00 12.99 0.23 9 P C T 53.14 13.64 15.72 29.84 92.80 -120.53 -62.13 -25.72 98.02 1.41 0.58 2.69 8.83 86.49 0.02 0.60 0.00 1.25 0.13 10 N C T 122.24 1.61 20.29 21.18 93.78 59.46 -86.02 2.83 99.11 0.37 0.52 3.68 8.72 86.69 0.03 0.56 0.00 0.27 0.06 11 I C C 30.47 18.34 7.90 25.19 118.70 114.48 -79.32 141.30 98.51 1.11 0.38 54.40 43.73 0.39 0.17 0.15 0.00 0.30 0.86 12 D C C 92.48 1.75 18.43 18.84 116.38 -105.28 -71.42 152.62 99.75 0.08 0.17 99.39 0.34 0.08 0.11 0.01 0.00 0.02 0.04 13 E H H 130.03 4.70 12.06 18.94 91.73 -109.80 -57.72 -38.78 2.44 0.00 97.56 0.45 0.35 1.36 97.24 0.60 0.00 0.00 0.00 14 E H H 141.07 0.93 16.80 16.09 92.18 51.95 -64.44 -39.96 1.41 0.00 98.59 0.18 0.12 0.94 98.00 0.75 0.00 0.00 0.00 15 S H H 41.01 6.98 15.29 23.94 92.14 48.74 -65.98 -39.98 0.88 0.00 99.11 0.19 0.08 0.49 98.46 0.78 0.00 0.00 0.00 16 K H H 45.36 17.37 13.65 30.59 91.51 51.86 -62.99 -42.37 0.61 0.00 99.39 0.15 0.06 0.28 99.31 0.21 0.00 0.00 0.00 17 K H H 115.75 4.01 20.89 25.42 91.49 50.67 -63.84 -41.09 0.60 0.00 99.40 0.12 0.04 0.29 99.47 0.08 0.00 0.00 0.00 18 A H H 49.07 3.02 22.16 24.60 91.50 50.53 -63.65 -41.90 0.64 0.00 99.35 0.11 0.03 0.37 99.41 0.07 0.00 0.00 0.00 19 V H H 13.87 18.20 18.77 37.20 91.85 49.51 -64.09 -43.28 0.38 0.00 99.61 0.06 0.02 0.21 99.67 0.04 0.00 0.00 0.00 20 I H H 21.63 19.35 19.20 38.15 91.43 50.17 -62.77 -43.04 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 21 E H H 109.55 2.76 24.43 26.45 91.36 50.50 -63.84 -41.47 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 22 R H H 102.49 6.95 23.22 30.42 91.65 49.70 -64.52 -41.92 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 23 F H H 5.69 25.08 18.30 43.31 91.75 49.42 -64.54 -42.92 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 24 N H H 49.18 15.02 20.69 35.08 91.33 52.07 -62.51 -40.82 0.25 0.00 99.75 0.02 0.01 0.15 99.80 0.02 0.00 0.00 0.00 25 N H H 91.69 2.07 25.12 25.39 91.84 50.80 -64.99 -40.89 0.57 0.00 99.43 0.04 0.02 0.40 99.50 0.04 0.00 0.00 0.00 26 V H H 23.10 13.29 20.27 34.45 91.84 49.57 -64.41 -43.29 0.62 0.00 99.37 0.04 0.04 0.44 99.41 0.07 0.00 0.00 0.00 27 L H H 4.29 25.20 14.12 39.60 91.86 49.55 -64.23 -42.79 1.21 0.02 98.77 0.14 0.10 0.86 98.57 0.31 0.00 0.01 0.00 28 T H H 78.19 6.88 18.65 26.44 92.46 50.33 -65.12 -40.15 2.20 0.02 97.79 0.25 0.13 1.69 96.93 0.99 0.00 0.01 0.00 29 S H H 88.37 1.40 19.76 20.29 90.66 55.22 -66.63 -24.78 12.01 0.02 87.97 0.23 0.33 12.20 86.25 0.95 0.02 0.01 0.01 30 N C T 54.10 13.06 14.57 28.34 94.45 50.44 -94.37 6.11 87.97 0.03 12.00 0.18 1.01 87.24 10.92 0.61 0.00 0.01 0.02 31 G C T 44.68 3.58 22.68 26.50 98.06 -99.47 90.55 10.00 99.90 0.01 0.08 0.50 1.10 98.35 0.02 0.01 0.00 0.01 0.00 32 A C C 7.66 23.93 9.63 32.81 121.46 136.36 -86.82 150.51 91.52 8.47 0.01 90.55 1.06 0.04 0.00 0.00 0.00 8.19 0.16 33 E E E 110.63 3.11 25.20 28.01 117.75 -139.40 -105.21 134.10 16.16 83.82 0.02 15.45 0.47 0.03 0.01 0.01 0.00 83.78 0.25 34 I E E 55.34 19.67 12.46 31.29 110.47 -125.04 -79.71 122.09 1.79 98.21 0.00 1.88 0.03 0.00 0.00 0.00 0.00 98.02 0.06 35 T E E 73.69 5.27 18.78 25.19 100.98 175.97 -97.26 -26.57 2.78 97.21 0.01 1.92 0.49 0.05 0.00 0.00 0.00 97.51 0.01 36 G E E 28.48 4.95 22.05 27.97 143.84 -18.19 -170.87 165.02 1.59 98.40 0.01 1.10 0.25 0.03 0.00 0.00 0.00 98.61 0.01 37 T E E 54.71 19.15 11.85 29.67 130.15 -153.27 -138.84 141.12 1.83 98.17 0.01 1.59 0.09 0.01 0.00 0.00 0.00 98.29 0.02 38 K E E 106.06 4.82 20.40 26.38 125.84 -173.44 -131.93 135.74 2.33 97.66 0.01 1.93 0.17 0.01 0.00 0.00 0.00 97.86 0.03 39 D E E 93.31 7.20 15.60 24.53 112.48 -123.51 -84.38 125.59 6.41 93.57 0.01 5.65 0.30 0.02 0.00 0.01 0.00 93.95 0.06 40 W E E 93.79 12.14 13.07 25.97 101.66 174.59 -102.07 -2.38 19.77 80.03 0.20 17.87 0.93 0.20 0.06 0.09 0.00 80.63 0.22 41 G E E 32.13 3.63 18.47 22.89 126.87 -124.17 89.46 -166.22 17.46 82.32 0.22 10.46 6.40 0.92 0.05 0.15 0.00 81.75 0.27 42 K E E 134.30 5.43 15.07 22.36 116.02 -34.17 -84.16 134.45 9.74 89.91 0.34 7.66 1.52 0.29 0.15 0.14 0.00 90.06 0.17 43 R E E 94.53 10.29 13.24 24.86 129.80 -174.28 -132.62 145.03 4.24 95.46 0.29 3.75 0.34 0.12 0.15 0.09 0.00 95.39 0.16 44 R E E 158.76 3.02 17.01 21.31 114.55 -121.52 -86.37 131.05 4.97 94.81 0.22 4.67 0.26 0.08 0.15 0.06 0.00 94.41 0.37 45 L E E 43.35 16.53 8.31 24.04 113.92 -126.85 -80.08 135.28 39.90 59.73 0.37 37.98 1.09 0.20 0.17 0.13 0.00 59.88 0.56 46 A C S 79.36 2.53 15.35 18.64 95.45 -148.28 -76.21 -23.68 69.24 30.55 0.21 25.64 40.32 2.61 0.02 0.20 0.00 30.83 0.39 47 Y C S 125.53 3.56 14.87 19.56 130.73 33.25 -136.16 153.72 60.96 38.81 0.23 11.40 47.13 2.66 0.02 0.19 0.00 38.01 0.59 48 E C C 127.94 4.28 12.97 19.04 113.64 -104.37 -79.29 133.53 58.77 40.77 0.46 53.93 3.38 0.67 0.12 0.34 0.00 39.77 1.79 49 I C C 60.03 11.88 8.42 20.73 119.10 -174.51 -121.79 125.27 60.71 38.09 1.20 54.23 4.32 1.61 0.42 0.87 0.00 28.81 9.73 50 N C T 127.93 1.75 13.74 15.87 99.04 -26.05 50.27 42.46 92.47 3.80 3.72 12.86 28.27 51.19 0.26 3.85 0.00 3.05 0.52 51 D C T 121.79 1.82 13.77 16.22 96.30 -35.54 44.74 16.24 91.37 5.00 3.63 11.66 28.66 50.73 0.20 3.93 0.00 4.33 0.49 52 F E E 73.93 11.15 11.13 23.37 120.58 104.61 -107.99 136.33 41.37 57.39 1.24 32.70 6.27 2.56 0.21 1.17 0.00 55.09 1.99 53 R E E 108.39 9.07 16.61 26.62 110.47 -171.83 -106.22 49.59 27.22 72.69 0.09 22.66 3.25 0.45 0.02 0.07 0.00 72.99 0.56 54 D E E 59.08 9.40 20.89 30.80 128.29 47.53 -121.39 144.50 13.17 86.78 0.05 10.14 2.80 0.30 0.01 0.04 0.00 86.50 0.22 55 G E E 6.84 17.61 18.10 36.01 141.87 153.70 -162.62 175.16 4.86 95.13 0.01 3.99 0.63 0.04 0.00 0.00 0.00 95.28 0.06 56 F E E 34.16 14.43 22.34 37.62 128.29 -101.84 -127.05 144.09 0.94 99.06 0.00 0.84 0.04 0.00 0.00 0.00 0.00 99.10 0.02 57 Y E E 38.45 16.98 21.23 38.16 120.64 -152.20 -109.25 134.06 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 58 Q E E 18.12 18.63 20.66 39.51 125.07 -170.29 -122.12 136.72 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 59 I E E 34.08 13.59 23.97 38.20 117.71 -159.04 -110.46 125.20 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 60 V E E 9.19 21.94 19.81 41.89 121.39 -168.18 -115.97 130.53 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 61 N E E 49.46 10.78 25.96 37.19 117.20 -160.36 -106.82 125.82 0.29 99.71 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 62 V E E 8.45 23.46 16.62 40.21 127.18 -173.13 -125.32 142.00 0.54 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.46 0.02 63 Q E E 84.41 7.41 25.23 33.10 118.67 -156.36 -111.63 126.33 6.45 93.54 0.02 4.73 1.50 0.08 0.00 0.01 0.00 93.52 0.16 64 S E E 20.48 16.53 16.32 33.05 142.11 128.95 -159.62 173.72 40.72 59.20 0.08 22.89 18.50 0.51 0.02 0.05 0.00 57.36 0.67 65 D C C 81.20 4.39 21.89 26.05 114.43 -79.08 -71.74 147.79 92.30 7.42 0.27 89.02 2.97 0.21 0.15 0.08 0.00 7.23 0.35 66 A H H 60.54 9.39 14.67 25.12 92.67 -112.91 -59.49 -36.12 8.01 0.03 91.96 1.42 1.39 5.09 89.95 2.10 0.02 0.01 0.02 67 A H H 69.67 2.04 21.52 22.32 91.48 54.77 -64.64 -38.42 4.99 0.02 94.99 0.70 0.60 3.51 93.10 2.05 0.02 0.01 0.01 68 A H H 14.94 14.70 16.89 32.57 92.22 50.20 -66.05 -39.97 2.49 0.02 97.49 0.80 0.31 1.37 95.32 2.19 0.01 0.01 0.01 69 V H H 15.15 20.63 15.82 36.16 91.78 52.64 -62.92 -42.76 0.63 0.00 99.37 0.17 0.06 0.32 99.06 0.39 0.00 0.00 0.00 70 Q H H 100.56 3.18 23.60 26.21 91.74 50.86 -63.97 -40.81 0.50 0.00 99.50 0.10 0.03 0.29 99.39 0.19 0.00 0.00 0.00 71 E H H 83.40 5.73 22.23 28.24 91.74 50.04 -64.44 -41.45 0.59 0.00 99.40 0.09 0.04 0.37 99.32 0.18 0.00 0.00 0.00 72 F H H 7.43 24.20 15.97 40.33 91.64 49.97 -64.59 -42.54 0.56 0.00 99.44 0.09 0.04 0.34 99.32 0.21 0.00 0.00 0.00 73 D H H 57.14 13.91 19.59 32.87 91.44 52.31 -62.36 -40.75 1.16 0.00 98.84 0.16 0.07 0.76 98.54 0.47 0.00 0.00 0.00 74 R H H 149.29 1.66 23.07 23.13 91.84 50.50 -65.12 -39.90 3.29 0.01 96.70 0.24 0.16 2.67 95.89 1.03 0.00 0.00 0.00 75 L H H 49.13 12.26 18.92 31.63 92.41 49.66 -67.88 -36.09 5.90 0.02 94.08 0.44 0.39 4.79 93.26 1.10 0.01 0.01 0.01 76 A H H 8.57 22.77 12.81 35.10 94.02 57.54 -72.27 -24.02 31.47 0.73 67.81 5.71 3.54 21.92 65.60 2.51 0.06 0.34 0.32 77 K C T 129.32 5.03 20.18 26.13 98.30 88.74 -70.07 -10.69 68.37 1.63 30.00 17.76 5.07 43.62 28.44 3.62 0.01 0.87 0.61 78 I C C 90.16 8.32 15.57 24.61 101.35 80.08 -87.81 3.24 78.56 4.08 17.36 41.60 20.45 16.10 14.92 3.15 0.02 1.84 1.92 79 S C C 40.62 11.40 12.98 25.13 124.61 71.97 -116.61 154.47 89.36 3.82 6.82 68.25 13.27 7.71 3.35 3.42 0.00 2.01 1.98 80 D C T 117.44 2.67 17.27 20.91 94.56 -133.40 -73.40 -12.36 92.18 1.55 6.28 8.54 30.73 53.60 0.95 4.72 0.00 1.01 0.45 81 D C T 63.29 11.31 16.74 28.34 96.65 63.81 -86.92 -3.56 87.40 7.22 5.38 16.42 18.48 52.59 0.63 4.68 0.00 6.62 0.59 82 I E E 22.21 21.36 13.11 34.16 112.19 100.19 -88.65 120.93 23.62 75.73 0.65 19.78 3.36 0.65 0.37 0.37 0.00 71.26 4.19 83 I E E 62.69 11.04 20.91 32.33 100.84 176.69 -91.51 -33.46 20.76 78.90 0.34 17.69 2.31 0.38 0.16 0.15 0.00 78.83 0.49 84 R E E 85.59 9.47 23.31 33.16 136.78 1.02 -147.93 147.97 16.04 83.56 0.40 14.29 1.12 0.31 0.17 0.16 0.00 83.70 0.25 85 H E E 46.70 21.63 15.30 35.64 128.57 -168.36 -131.41 138.10 16.38 83.26 0.36 15.06 0.82 0.19 0.15 0.12 0.00 83.46 0.20 86 I E E 58.04 9.62 23.10 33.50 123.21 -168.04 -122.76 132.65 12.58 87.25 0.17 11.92 0.40 0.09 0.07 0.05 0.00 87.33 0.14 87 V E E 43.22 17.44 16.38 33.54 120.28 -159.40 -111.44 129.06 7.13 92.82 0.05 7.23 0.15 0.03 0.02 0.01 0.00 92.41 0.15 88 V E E 52.58 9.54 18.68 29.56 123.72 -171.20 -119.68 136.72 7.26 92.71 0.04 7.21 0.21 0.03 0.02 0.01 0.00 92.23 0.29 89 K E E 109.22 8.94 14.37 24.55 117.48 -141.16 -98.37 132.65 18.52 81.40 0.08 17.45 0.79 0.10 0.03 0.04 0.00 81.08 0.51 90 E C C 96.50 8.43 10.88 20.65 116.33 -148.04 -94.22 136.27 72.84 27.03 0.14 71.51 0.59 0.18 0.03 0.07 0.00 27.17 0.44 91 E C C 146.97 2.17 14.72 17.91 109.91 -115.74 -76.83 126.31 99.81 0.18 0.00 99.79 0.05 0.02 0.00 0.00 0.00 0.13 0.00