# 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 132.74 4.99 19.44 25.56 116.10 -148.21 -100.98 126.57 99.33 0.67 0.00 99.42 0.11 0.01 0.00 0.00 0.00 0.41 0.04 1 I C C 27.09 20.07 11.33 30.83 116.10 -158.94 -105.56 121.40 89.08 10.90 0.02 89.56 0.41 0.04 0.01 0.01 0.00 8.95 1.03 2 P C C 87.93 3.19 22.69 25.64 111.44 -127.76 -71.71 134.52 86.54 13.29 0.16 86.45 0.98 0.24 0.05 0.09 0.00 10.58 1.61 3 L C C 30.16 22.60 9.18 30.05 120.30 -158.10 -110.37 135.80 91.79 7.63 0.58 89.12 2.68 0.67 0.12 0.47 0.00 3.46 3.48 4 T C C 84.93 3.51 21.14 24.75 118.01 -142.70 -96.13 139.65 97.38 2.33 0.29 91.10 5.24 1.05 0.07 0.25 0.00 1.57 0.70 5 A C C 63.05 10.97 13.96 25.57 109.57 -116.47 -76.05 124.52 98.35 1.38 0.27 67.42 28.91 2.06 0.06 0.25 0.00 0.80 0.50 6 V C C 63.07 8.17 16.08 25.70 126.98 160.69 -122.73 143.49 97.21 2.72 0.07 62.62 34.60 0.35 0.02 0.05 0.00 1.07 1.30 7 P C T 77.86 5.71 17.81 24.14 113.40 -88.61 -65.00 147.68 98.66 1.16 0.18 6.35 14.65 77.74 0.01 0.21 0.00 0.90 0.14 8 N C T 84.92 9.04 17.78 27.36 97.47 10.69 58.50 48.24 95.40 4.46 0.15 8.14 10.68 76.28 0.00 0.19 0.00 4.58 0.12 9 Q E E 36.18 15.83 15.06 31.38 124.05 158.24 -112.86 141.22 26.67 73.31 0.03 23.97 1.64 0.10 0.00 0.03 0.00 73.73 0.53 10 A E E 53.81 9.87 21.26 31.84 129.65 -168.85 -132.11 142.64 2.03 97.97 0.00 1.95 0.05 0.00 0.00 0.00 0.00 97.93 0.06 11 I E E 21.47 19.84 16.69 36.32 131.40 -174.14 -133.22 147.46 0.78 99.22 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.25 0.01 12 S E E 53.77 9.23 21.96 31.79 126.61 -161.90 -123.16 140.55 0.38 99.62 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.64 0.00 13 F E E 26.25 18.66 15.74 34.60 134.81 176.80 -139.66 150.82 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 14 N E E 86.94 5.65 21.65 27.92 115.15 -130.66 -101.30 127.02 1.13 98.87 0.00 0.99 0.03 0.00 0.00 0.00 0.00 98.96 0.02 15 A E E 10.49 21.58 12.19 33.33 110.59 -176.86 -118.97 89.12 7.82 92.13 0.05 5.55 1.48 0.34 0.01 0.04 0.00 92.30 0.28 16 G C T 44.35 5.33 16.77 22.89 107.39 -55.60 63.97 -122.07 99.50 0.32 0.18 0.35 6.48 92.74 0.00 0.18 0.00 0.23 0.03 17 S C T 97.12 1.29 16.63 17.42 96.72 -19.75 -90.75 5.46 99.76 0.12 0.12 0.35 6.20 93.24 0.00 0.12 0.00 0.08 0.01 18 S E E 34.18 12.87 12.39 26.15 126.06 92.01 -111.67 147.36 5.10 94.87 0.02 3.26 1.39 0.12 0.00 0.01 0.00 95.08 0.13 19 Y E E 110.18 7.53 19.95 28.35 117.83 -137.94 -102.40 130.96 1.21 98.79 0.00 1.02 0.04 0.00 0.00 0.00 0.00 98.93 0.01 20 W E E 15.96 22.34 15.33 37.83 129.03 -173.85 -125.55 145.29 0.34 99.66 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 21 K E E 63.12 9.40 26.08 36.29 118.21 -150.14 -109.95 128.06 0.09 99.91 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.92 0.00 22 I E E 2.49 26.62 18.23 45.97 120.97 -166.69 -116.21 130.21 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 23 R E E 59.94 11.10 28.32 40.29 119.77 -165.19 -115.38 127.58 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 24 L E E 2.36 26.67 19.78 47.40 119.39 -162.61 -109.32 127.81 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 25 Y E E 54.30 11.85 27.53 40.10 125.04 -172.86 -123.41 135.70 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 26 Q E E 30.43 20.87 17.61 37.64 121.78 -156.89 -113.00 131.66 3.33 96.66 0.00 2.95 0.20 0.02 0.00 0.00 0.00 96.73 0.10 27 N C C 55.19 8.70 19.66 29.07 126.09 172.18 -122.36 150.48 58.19 41.72 0.09 53.13 2.37 0.33 0.01 0.06 0.00 43.66 0.44 28 M C S 126.16 4.41 17.17 22.79 95.21 -81.81 -57.00 -38.93 98.70 0.97 0.33 10.53 51.57 36.65 0.03 0.32 0.00 0.78 0.12 29 D C S 95.36 5.24 17.67 23.68 101.90 12.55 -106.78 -5.67 99.14 0.60 0.27 6.92 52.29 39.97 0.02 0.27 0.00 0.45 0.08 30 M E E 45.43 12.32 19.71 32.59 141.75 36.85 -147.63 161.76 32.71 67.22 0.07 24.13 7.59 0.48 0.01 0.06 0.00 67.29 0.45 31 M E E 5.49 24.63 18.45 43.77 119.91 -128.36 -107.77 132.62 3.10 96.90 0.00 2.85 0.13 0.01 0.00 0.00 0.00 96.97 0.04 32 N E E 20.35 15.81 27.42 43.37 127.09 -169.33 -121.25 140.88 0.23 99.77 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 33 A E E 1.27 26.84 21.89 49.27 126.48 -169.61 -126.49 139.71 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 34 D E E 17.97 15.59 28.14 44.11 126.74 -166.40 -121.40 142.04 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 35 I E E 3.03 25.64 20.72 47.15 119.44 -153.12 -111.60 128.45 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 36 S E E 18.23 12.45 23.16 36.68 132.24 -177.38 -128.66 154.48 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 37 R E E 56.85 16.04 14.96 31.13 119.88 -160.82 -128.98 120.67 2.53 97.45 0.02 1.43 0.62 0.25 0.00 0.02 0.00 97.54 0.14 38 D C T 118.71 2.17 16.03 19.02 92.48 -14.93 53.63 40.35 99.36 0.49 0.15 0.36 3.40 95.69 0.00 0.13 0.00 0.40 0.03 39 G C T 55.96 3.18 14.30 18.73 94.56 -55.27 80.48 2.02 99.74 0.13 0.13 0.47 3.68 95.62 0.00 0.10 0.00 0.10 0.01 40 V E E 88.69 3.60 17.21 22.21 119.00 118.16 -100.85 132.87 3.95 96.02 0.03 2.52 1.43 0.12 0.01 0.02 0.00 95.37 0.53 41 I E E 76.65 13.09 15.66 29.10 109.58 -116.73 -71.91 124.33 1.40 98.59 0.00 1.21 0.08 0.01 0.00 0.00 0.00 98.67 0.04 42 V E E 30.30 16.14 18.94 35.42 100.73 174.25 -98.08 -30.00 5.49 94.46 0.05 3.60 1.49 0.28 0.01 0.03 0.00 94.50 0.09 43 C E E 8.75 22.91 17.77 40.58 131.05 12.92 -140.34 137.17 3.14 96.79 0.07 2.21 0.70 0.19 0.02 0.04 0.00 96.77 0.08 44 H E E 94.53 10.70 23.30 34.06 125.96 -172.27 -124.81 138.77 7.10 92.72 0.18 3.00 2.29 1.72 0.03 0.12 0.00 92.73 0.11 45 G E E 28.66 11.19 23.51 34.86 101.02 17.72 84.68 8.95 14.08 85.80 0.12 5.00 6.58 1.94 0.02 0.10 0.00 86.25 0.12 46 V E E 24.99 19.15 21.50 40.02 119.35 144.51 -96.26 134.34 5.04 94.93 0.03 4.58 0.31 0.03 0.01 0.01 0.00 94.93 0.12 47 R E E 72.41 14.55 26.73 40.86 113.23 -116.76 -75.92 135.50 3.20 96.74 0.06 3.06 0.16 0.03 0.04 0.02 0.00 94.60 2.10 48 C E E 1.44 27.81 18.36 47.24 118.95 -157.43 -105.80 130.85 47.84 51.93 0.23 42.19 4.79 0.45 0.08 0.16 0.00 50.53 1.81 49 F C C 60.85 12.46 25.78 38.24 126.92 -160.66 -125.77 138.85 59.28 40.31 0.40 47.27 10.59 1.42 0.17 0.32 0.01 30.28 9.93 50 G C T 28.98 14.80 18.71 32.76 109.12 -87.61 -61.11 134.18 94.13 5.30 0.57 2.35 9.35 83.09 0.04 0.52 0.00 3.94 0.72 51 G C T 42.84 6.95 21.88 29.37 95.61 15.90 85.35 -3.20 97.92 1.82 0.26 2.49 12.27 83.12 0.01 0.31 0.00 1.68 0.12 52 I C S 50.27 13.55 19.70 33.78 118.26 116.44 -102.52 129.99 67.15 32.72 0.13 32.94 36.09 0.62 0.04 0.11 0.00 26.18 4.02 53 P E E 40.53 15.11 23.34 38.12 111.64 -114.62 -69.71 135.37 35.26 64.00 0.74 31.83 2.04 0.58 0.39 0.34 0.00 43.83 20.98 54 L C C 3.79 26.28 21.19 47.26 101.38 -167.98 -89.99 -28.47 62.64 34.01 3.35 32.28 27.13 5.80 1.29 2.19 0.08 24.97 6.26 55 L C C 9.36 23.18 21.72 44.40 126.50 29.65 -126.15 134.63 60.12 35.06 4.82 33.59 23.05 5.66 2.24 2.77 0.21 23.85 8.62 56 Q C C 57.82 13.08 22.81 35.77 112.42 -138.75 -89.35 136.06 80.30 13.70 6.00 64.74 11.03 4.51 2.19 3.64 0.00 11.34 2.55 57 Y C C 54.68 15.59 17.23 32.87 115.17 -147.85 -94.02 133.19 73.40 7.49 19.12 49.89 14.29 8.73 10.44 9.06 0.02 4.07 3.51 58 S H G 51.18 10.09 17.12 27.67 97.51 -145.02 -70.42 -22.57 47.12 2.28 50.60 16.44 9.90 21.36 18.60 31.40 0.06 1.25 0.99 59 H H G 108.32 7.44 16.09 24.16 94.99 61.10 -76.23 -21.08 42.13 1.98 55.89 10.94 7.92 23.01 20.27 35.84 0.08 1.12 0.83 60 Q H G 83.62 9.94 14.95 25.30 98.32 56.91 -82.82 -13.67 43.01 2.81 54.18 13.39 9.57 20.81 19.25 34.09 0.13 1.53 1.22 61 Y C C 83.48 13.23 13.54 26.79 103.36 49.28 -96.59 17.02 62.89 5.77 31.34 26.83 16.90 20.98 12.41 16.83 0.18 2.66 3.21 62 R C C 105.41 8.76 14.86 24.48 114.14 94.65 -96.01 127.12 87.84 7.01 5.15 46.48 32.26 9.14 1.98 2.89 0.01 2.87 4.36 63 P C T 83.62 6.98 15.13 23.01 100.86 -99.94 -65.60 -2.81 89.05 1.21 9.75 15.90 14.98 57.98 1.49 8.35 0.00 0.66 0.64 64 D C T 94.42 6.21 17.40 24.25 99.11 31.65 -79.10 5.76 87.78 1.84 10.37 12.91 17.43 57.36 1.51 8.89 0.00 1.14 0.76 65 Y C C 80.66 12.99 17.93 30.87 111.54 71.04 -107.58 76.51 78.38 13.59 8.03 33.38 23.63 22.82 1.22 6.74 0.01 9.55 2.63 66 G C C 8.95 17.05 19.84 36.54 129.32 -50.04 141.01 -175.18 64.92 33.84 1.24 45.26 13.50 5.80 0.22 1.21 0.00 32.19 1.80 67 N E E 29.45 16.92 25.24 41.56 126.50 -102.30 -120.82 145.87 18.86 80.84 0.30 16.07 2.59 0.40 0.08 0.24 0.00 79.81 0.81 68 F E E 5.10 25.34 23.34 48.45 122.66 -155.26 -114.78 134.53 1.67 98.32 0.02 1.44 0.12 0.01 0.01 0.01 0.00 98.31 0.11 69 V E E 12.62 19.16 26.99 45.57 126.37 -168.24 -122.36 138.91 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.71 0.02 70 F E E 10.79 23.26 20.33 43.41 121.87 -159.84 -113.32 134.38 1.01 98.98 0.01 0.92 0.04 0.00 0.00 0.00 0.00 98.95 0.08 71 D E E 51.60 11.69 22.56 34.45 109.29 -154.40 -96.18 103.09 18.26 81.42 0.32 12.77 5.25 0.70 0.08 0.20 0.00 80.57 0.42 72 R C E 81.53 13.20 16.61 29.89 125.28 105.91 -117.45 145.50 54.42 44.67 0.91 33.09 20.68 2.90 0.20 0.71 0.00 41.14 1.28 73 D C C 85.22 6.97 17.90 25.62 113.70 -127.79 -89.18 130.09 79.56 18.82 1.62 56.93 18.44 4.27 0.36 1.32 0.00 17.18 1.50 74 A C C 60.68 9.69 14.17 24.48 105.35 -117.09 -79.07 27.83 88.89 7.37 3.73 60.74 17.99 10.00 0.85 3.06 0.00 5.76 1.59 75 D C C 77.07 6.35 17.16 24.46 110.84 75.11 -100.83 108.49 93.39 3.29 3.32 78.88 8.02 6.58 1.03 2.14 0.00 2.16 1.20 76 W C C 75.48 17.91 11.82 28.70 98.55 -164.05 -81.30 -1.59 86.17 2.63 11.20 66.46 9.24 10.44 2.81 8.40 0.00 1.49 1.16 77 T C C 88.98 4.65 18.40 23.67 97.52 83.75 -84.03 -11.41 81.96 2.77 15.26 49.70 16.50 16.00 4.19 10.83 0.00 1.45 1.33 78 L C C 78.38 7.95 17.16 25.90 106.64 52.77 -101.79 64.29 78.26 5.49 16.25 50.84 14.15 13.13 4.64 11.58 0.01 2.74 2.93 79 F C C 47.79 20.01 12.89 31.70 109.50 -126.85 -74.34 122.46 72.64 6.06 21.30 33.91 12.76 26.55 7.27 13.27 0.04 3.12 3.09 80 G C T 35.19 10.55 18.23 28.47 105.21 17.52 77.43 -36.72 68.78 2.78 28.43 13.12 15.42 40.85 5.58 22.10 0.03 1.72 1.18 81 D C T 102.00 3.56 20.03 23.96 102.21 46.39 -88.03 -9.48 67.05 3.52 29.42 9.88 18.65 39.31 5.43 22.94 0.08 2.30 1.41 82 G C T 24.71 11.11 19.04 30.39 109.68 18.11 -101.42 1.18 64.97 11.82 23.21 19.85 14.41 32.35 3.76 18.13 0.06 9.91 1.52 83 I E E 14.78 22.41 15.66 37.77 128.82 83.92 -119.49 145.75 39.21 60.24 0.55 32.62 5.74 0.75 0.16 0.36 0.00 59.19 1.17 84 N E E 44.33 12.54 26.41 39.09 124.43 -159.15 -118.27 136.96 4.72 95.19 0.08 4.13 0.51 0.10 0.03 0.03 0.00 95.02 0.18 85 L E E 8.27 24.42 20.52 45.02 117.67 -150.23 -103.31 128.31 0.85 99.15 0.01 0.77 0.04 0.00 0.00 0.00 0.00 99.17 0.02 86 F E E 27.06 17.01 25.57 42.28 122.22 -168.07 -117.62 132.01 0.23 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.76 0.01 87 Y E E 39.14 18.93 22.72 40.90 118.74 -155.47 -106.75 128.65 0.50 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.51 0.03 88 L E E 18.04 18.83 18.09 36.99 127.26 -170.80 -120.65 144.83 10.10 89.89 0.02 9.71 0.29 0.01 0.01 0.00 0.00 89.66 0.32 89 D C C 59.48 7.03 21.59 28.91 122.68 -125.97 -83.64 164.48 81.82 18.07 0.11 79.14 1.88 0.09 0.05 0.04 0.00 18.47 0.33 90 G H H 39.32 8.69 16.22 25.69 93.08 -97.76 -56.73 -39.24 5.15 0.04 94.81 1.04 0.84 3.19 92.05 2.83 0.01 0.02 0.01 91 A H H 74.78 1.47 20.06 19.77 92.03 52.36 -65.26 -39.05 2.41 0.01 97.57 0.39 0.25 1.66 95.00 2.69 0.01 0.01 0.00 92 E H H 50.70 12.34 16.23 29.34 92.43 49.96 -66.45 -39.84 1.35 0.01 98.64 0.34 0.14 0.79 95.97 2.76 0.00 0.01 0.00 93 F H H 34.73 18.28 14.14 32.29 91.92 52.24 -63.17 -42.10 0.84 0.01 99.15 0.28 0.09 0.41 98.62 0.60 0.00 0.00 0.00 94 A H H 60.12 2.73 20.47 22.68 91.57 51.31 -63.42 -41.40 1.02 0.01 98.97 0.32 0.09 0.51 98.77 0.30 0.00 0.01 0.00 95 E H H 103.96 2.98 20.00 22.74 91.93 49.85 -65.13 -41.08 1.41 0.01 98.57 0.33 0.12 0.83 98.36 0.35 0.00 0.00 0.00 96 Y H H 37.08 16.48 14.34 31.09 92.56 49.18 -65.97 -41.07 2.33 0.02 97.65 0.59 0.22 1.33 97.32 0.51 0.00 0.01 0.00 97 Q H H 80.11 9.60 16.20 26.48 91.90 52.34 -64.32 -39.33 5.45 0.06 94.49 1.44 0.56 3.16 93.93 0.85 0.01 0.03 0.02 98 A H H 73.99 1.68 16.63 17.72 92.42 53.36 -66.69 -34.24 16.02 0.10 83.88 2.87 1.41 11.02 83.05 1.53 0.01 0.05 0.05 99 L H H 92.25 5.56 13.27 20.25 94.42 53.27 -73.24 -25.99 31.19 0.29 68.52 6.41 3.50 20.77 66.94 2.06 0.04 0.12 0.16 100 A C H 52.61 10.21 9.80 20.56 99.31 63.27 -80.07 -11.26 56.30 0.65 43.05 30.15 1.95 22.34 43.17 1.74 0.00 0.26 0.38 101 T C C 95.36 3.50 13.48 18.34 104.32 76.86 -86.89 12.48 99.88 0.07 0.05 99.74 0.09 0.09 0.04 0.00 0.00 0.03 0.01