# 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 D C C 102.90 3.58 20.18 23.97 103.63 -134.81 -81.41 61.18 99.86 0.14 0.00 99.77 0.11 0.02 0.00 0.00 0.00 0.09 0.00 1 I C C 39.02 20.04 10.68 29.43 117.86 -160.12 -99.05 129.55 68.67 31.25 0.09 67.73 0.54 0.18 0.01 0.04 0.00 30.82 0.67 2 Q E E 98.38 5.19 21.21 27.29 122.63 -168.05 -116.49 136.31 24.96 74.91 0.13 22.60 1.73 0.25 0.04 0.08 0.00 74.52 0.77 3 M E E 46.63 20.42 13.27 32.66 124.11 -164.02 -115.27 137.41 10.19 89.74 0.07 9.61 0.57 0.09 0.03 0.03 0.00 88.82 0.86 4 T E E 60.76 8.15 21.43 30.19 127.04 -171.47 -125.54 144.38 12.35 87.56 0.09 11.17 0.97 0.14 0.03 0.05 0.00 86.00 1.62 5 Q E E 72.77 15.29 15.88 30.66 125.10 -160.21 -121.11 139.71 41.37 58.49 0.14 32.69 8.36 0.57 0.03 0.12 0.00 56.96 1.28 6 S C C 51.54 10.41 17.47 28.42 121.98 -138.09 -101.66 149.14 82.46 17.43 0.10 56.77 24.33 0.86 0.01 0.11 0.00 17.23 0.69 7 P C C 56.88 9.46 16.94 27.20 115.33 14.10 -72.92 151.41 92.11 7.60 0.29 67.32 21.51 2.64 0.03 0.33 0.00 7.71 0.46 8 S C S 65.08 9.46 16.78 26.99 98.16 -154.12 -87.14 -20.34 82.36 17.45 0.19 29.68 49.76 1.96 0.01 0.21 0.00 17.90 0.49 9 S E E 55.74 7.10 20.32 28.58 136.50 16.55 -146.69 150.44 18.11 81.76 0.13 14.47 3.29 0.35 0.02 0.12 0.00 81.33 0.43 10 L E E 34.56 19.38 15.16 33.89 131.98 -175.71 -139.08 145.61 2.67 97.32 0.01 2.42 0.16 0.01 0.00 0.00 0.00 97.26 0.14 11 S E E 63.34 6.92 23.28 31.36 125.52 -156.71 -118.37 139.84 2.40 97.60 0.01 2.17 0.15 0.01 0.00 0.00 0.00 97.54 0.12 12 A E E 12.23 19.59 14.73 34.43 138.47 168.13 -147.44 160.31 15.60 84.37 0.03 14.01 0.86 0.05 0.01 0.02 0.00 84.71 0.33 13 S E E 53.27 5.28 23.79 28.93 123.96 -114.89 -89.79 159.38 36.36 63.48 0.17 32.75 2.69 0.38 0.07 0.13 0.00 58.06 5.92 14 V C T 61.65 14.87 14.45 29.29 109.17 -81.61 -59.99 134.58 98.72 0.85 0.43 0.37 3.30 95.43 0.02 0.29 0.00 0.48 0.11 15 G C T 44.74 4.57 20.06 25.38 95.87 22.39 88.92 -6.26 99.49 0.24 0.27 0.55 4.06 94.97 0.01 0.22 0.00 0.15 0.03 16 D C C 57.23 9.67 16.88 27.68 121.72 122.79 -78.75 152.78 96.73 3.11 0.17 62.12 34.29 0.66 0.03 0.15 0.00 2.25 0.50 17 R C C 129.23 7.85 19.67 28.72 120.66 -127.38 -99.44 136.68 74.84 25.15 0.01 75.47 0.49 0.03 0.00 0.01 0.00 23.37 0.63 18 V E E 12.14 22.32 14.55 36.80 129.18 -172.16 -128.54 144.48 1.16 98.84 0.00 1.19 0.02 0.00 0.00 0.00 0.00 98.69 0.10 19 T E E 63.19 7.58 25.16 33.23 117.57 -144.99 -106.79 128.60 0.45 99.55 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.54 0.01 20 I E E 4.86 25.72 16.22 42.77 120.09 -166.19 -114.34 129.13 1.77 98.23 0.00 1.68 0.03 0.00 0.00 0.00 0.00 98.28 0.01 21 T E E 43.54 9.29 27.01 37.03 122.18 -165.85 -114.19 135.46 5.96 94.04 0.00 5.44 0.14 0.00 0.00 0.00 0.00 94.38 0.04 22 C E E 4.30 25.82 16.71 43.01 126.78 -172.65 -126.67 139.50 5.78 94.22 0.00 5.32 0.18 0.01 0.00 0.00 0.00 94.39 0.10 23 Q E E 76.44 7.86 27.54 36.24 122.02 -167.50 -121.83 133.39 4.11 95.88 0.01 3.78 0.20 0.02 0.00 0.01 0.00 95.35 0.64 24 A E E 9.32 23.60 13.93 37.21 125.11 -164.30 -117.30 142.95 35.06 64.65 0.28 33.44 1.44 0.24 0.10 0.17 0.00 62.91 1.69 25 S C C 52.40 7.45 20.40 28.37 107.61 -146.32 -87.09 -19.13 81.22 18.00 0.78 45.62 32.36 3.35 0.12 0.76 0.00 16.77 1.03 26 Q C S 106.76 5.30 18.24 24.13 113.69 -2.75 -112.33 8.32 91.84 6.81 1.34 18.68 64.56 8.89 0.15 1.19 0.00 5.66 0.87 27 D C C 85.30 6.52 17.50 24.87 111.45 17.94 -92.38 122.07 94.79 3.87 1.34 70.91 16.26 7.37 0.19 1.45 0.00 2.91 0.91 28 I C C 61.59 15.21 13.39 28.20 105.86 -156.57 -90.52 46.45 92.48 5.13 2.40 48.18 23.60 20.71 0.34 2.44 0.00 3.34 1.40 29 N C C 85.65 7.34 20.49 27.98 105.38 103.48 -88.97 45.91 92.52 5.85 1.64 41.96 29.14 21.50 0.15 1.82 0.00 4.64 0.78 30 I C C 52.23 14.76 17.67 32.24 112.32 116.02 -101.99 89.10 83.20 15.68 1.12 40.60 38.74 4.10 0.13 1.02 0.00 14.38 1.04 31 Y E E 70.53 12.10 23.34 35.61 126.64 55.12 -117.00 142.13 40.09 59.56 0.35 35.15 3.63 0.62 0.07 0.28 0.00 59.23 1.02 32 L E E 4.79 25.58 18.30 44.35 123.59 -160.46 -117.54 135.91 9.87 90.11 0.03 9.10 0.60 0.05 0.01 0.02 0.00 89.92 0.31 33 N E E 30.50 14.27 27.56 42.08 126.83 -169.14 -120.26 143.74 2.03 97.96 0.00 1.87 0.08 0.01 0.00 0.00 0.00 98.01 0.04 34 W E E 9.25 24.55 20.94 45.56 125.48 -154.92 -114.69 139.97 0.86 99.14 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.15 0.01 35 Y E E 28.03 15.61 24.01 39.94 133.57 -176.34 -133.58 152.28 0.48 99.51 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.53 0.03 36 Q E E 39.16 15.08 20.89 36.23 122.35 -144.38 -111.27 136.33 2.44 97.56 0.00 2.03 0.18 0.01 0.00 0.00 0.00 97.72 0.07 37 Q E E 51.36 13.73 15.67 30.07 119.92 -150.06 -104.78 135.32 31.78 68.20 0.02 28.71 2.02 0.08 0.00 0.02 0.00 68.17 1.00 38 K C C 97.70 6.21 15.33 22.90 119.03 -140.94 -90.60 145.30 96.44 3.53 0.03 94.38 2.14 0.17 0.01 0.02 0.00 2.78 0.50 39 P C T 102.84 4.00 11.41 17.45 109.37 -85.21 -58.43 133.96 99.64 0.11 0.26 0.33 3.50 95.84 0.01 0.25 0.00 0.06 0.02 40 G C T 68.63 0.34 13.01 10.96 96.25 17.47 83.08 -3.31 99.65 0.09 0.26 0.42 3.44 95.79 0.01 0.27 0.00 0.06 0.01 41 K C S 111.77 4.01 11.11 17.25 129.44 91.34 -116.87 158.46 91.50 8.16 0.34 34.66 55.71 1.27 0.08 0.26 0.00 2.85 5.18 42 A C C 72.60 2.95 16.44 19.96 116.57 -96.23 -70.17 151.23 96.31 3.66 0.03 85.54 10.86 0.16 0.00 0.02 0.00 3.01 0.41 43 P C C 42.58 18.20 10.87 28.30 115.06 -100.05 -65.94 144.65 92.17 7.82 0.02 90.66 1.60 0.09 0.00 0.01 0.00 7.41 0.22 44 K E E 103.89 6.28 21.04 28.23 123.50 -159.63 -119.05 139.22 9.74 90.23 0.03 8.60 0.89 0.06 0.01 0.02 0.00 89.79 0.63 45 L E E 68.72 15.09 16.97 31.75 110.89 -115.82 -75.70 126.93 0.99 99.01 0.00 0.91 0.04 0.00 0.00 0.00 0.00 99.00 0.05 46 L E E 31.93 16.46 19.68 36.24 101.26 175.91 -96.05 -33.85 3.05 96.95 0.00 2.21 0.71 0.02 0.00 0.00 0.00 97.04 0.02 47 I E E 28.66 17.03 20.70 37.77 135.77 7.47 -147.01 143.31 0.85 99.14 0.00 0.70 0.07 0.00 0.00 0.00 0.00 99.21 0.02 48 Y E E 62.14 18.08 19.14 36.28 128.43 -173.14 -133.70 136.22 4.55 95.42 0.03 4.05 0.27 0.03 0.01 0.01 0.00 95.46 0.17 49 D E E 41.90 10.94 21.95 33.49 114.01 -157.86 -115.12 111.62 35.17 64.23 0.60 30.45 3.93 0.65 0.18 0.39 0.00 63.36 1.04 50 A H G 30.58 18.17 14.41 32.09 94.48 -164.83 -69.94 -18.02 42.29 4.65 53.06 14.51 8.54 21.04 4.51 47.08 0.02 3.57 0.75 51 S H G 75.91 3.89 18.90 23.58 92.45 67.91 -72.87 -17.83 46.83 1.42 51.75 5.88 8.01 32.50 4.83 47.32 0.02 0.89 0.55 52 N H G 91.08 6.41 17.27 24.50 100.32 45.86 -101.55 6.77 45.05 2.03 52.91 11.91 10.27 24.79 5.16 45.92 0.02 1.19 0.75 53 L C C 43.27 19.00 10.14 27.66 117.83 102.60 -87.31 136.29 81.41 6.48 12.11 55.66 18.30 7.10 6.22 5.83 0.01 2.94 3.94 54 E C C 117.13 4.86 17.09 23.09 116.68 -146.20 -91.79 139.05 84.83 7.64 7.53 62.74 12.36 9.19 3.59 3.87 0.00 3.94 4.31 55 T C T 95.98 5.42 14.68 21.65 111.80 -101.23 -70.76 132.90 90.12 4.91 4.98 18.48 18.89 52.93 1.91 2.79 0.01 2.93 2.06 56 G C T 52.03 3.91 17.40 22.16 98.79 21.74 85.68 -1.98 95.96 2.50 1.54 19.70 25.19 51.21 0.26 1.28 0.00 1.76 0.59 57 V C C 38.09 16.39 11.53 27.96 117.86 109.95 -97.56 130.85 89.63 9.94 0.42 55.59 33.63 1.20 0.15 0.27 0.00 4.51 4.64 58 P C C 59.74 8.47 18.00 27.50 110.62 -111.69 -67.10 146.28 91.29 6.28 2.44 73.04 11.25 6.54 0.41 2.43 0.00 4.63 1.69 59 S C C 56.26 12.93 15.96 28.59 99.86 -122.23 -76.38 -11.62 88.02 8.17 3.81 46.08 27.34 14.80 0.34 4.09 0.00 6.33 1.03 60 R C C 111.87 8.83 20.87 30.01 114.29 66.36 -110.36 107.54 66.11 29.74 4.15 40.14 17.59 8.84 0.48 3.66 0.00 28.01 1.27 61 F E E 30.74 22.24 13.51 34.90 125.57 128.22 -116.73 140.59 19.17 80.55 0.29 17.05 2.03 0.34 0.10 0.18 0.00 79.07 1.24 62 S E E 56.68 6.33 23.93 31.53 134.01 -174.30 -137.83 154.60 5.93 94.01 0.05 5.36 0.46 0.06 0.02 0.02 0.00 93.72 0.36 63 G E E 21.94 18.51 15.05 32.40 141.10 165.57 -158.61 168.11 5.45 94.52 0.03 4.70 0.51 0.07 0.00 0.01 0.00 94.50 0.19 64 S E E 65.73 4.57 21.90 28.06 135.57 -165.72 -145.54 156.94 8.62 91.34 0.04 7.44 0.83 0.11 0.01 0.02 0.00 91.30 0.30 65 G E E 30.30 10.57 15.81 27.23 139.94 118.37 143.59 162.95 23.41 76.50 0.10 17.09 6.16 0.74 0.01 0.10 0.00 75.12 0.79 66 S C E 75.40 3.40 21.06 24.86 117.03 -91.22 -116.57 129.66 52.03 47.68 0.29 40.30 10.03 2.07 0.06 0.31 0.00 44.95 2.29 67 G C S 31.92 11.33 18.98 30.05 107.01 -53.36 65.28 -114.76 98.79 0.77 0.43 1.44 51.66 45.87 0.01 0.40 0.00 0.53 0.08 68 T C S 53.01 14.85 16.86 31.47 98.51 -5.31 -99.67 -2.34 98.80 0.84 0.36 1.47 51.03 46.46 0.01 0.33 0.00 0.62 0.08 69 D E E 60.06 8.91 22.57 32.64 121.58 83.67 -109.68 130.98 31.74 68.14 0.12 22.88 8.77 0.81 0.02 0.15 0.00 65.70 1.68 70 F E E 7.53 24.67 15.87 41.01 128.55 -174.51 -126.26 143.00 9.17 90.83 0.00 8.93 0.17 0.01 0.00 0.00 0.00 90.68 0.21 71 T E E 36.62 10.09 27.08 38.21 123.20 -161.90 -119.21 133.72 1.97 98.03 0.00 1.71 0.05 0.00 0.00 0.00 0.00 98.22 0.02 72 F E E 4.80 25.69 18.50 44.91 121.28 -166.36 -115.94 131.19 0.21 99.79 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 73 T E E 41.46 9.76 27.11 37.70 120.31 -163.01 -115.45 128.62 0.10 99.90 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 74 I E E 7.56 24.11 15.89 40.61 118.06 -165.19 -112.47 125.30 2.20 97.80 0.00 2.28 0.02 0.00 0.00 0.00 0.00 97.39 0.31 75 N C C 73.29 6.48 22.94 29.65 120.08 -164.22 -103.70 155.40 94.64 5.32 0.03 50.85 40.83 2.03 0.00 0.06 0.00 6.06 0.16 76 S C S 66.43 4.41 24.02 28.38 101.43 10.65 60.99 69.71 99.30 0.68 0.02 10.55 86.51 2.31 0.00 0.02 0.00 0.54 0.07 77 L C C 19.82 23.61 10.51 33.57 112.89 -140.43 -74.73 130.54 99.54 0.45 0.01 98.00 1.57 0.03 0.00 0.00 0.00 0.15 0.24 78 Q C C 80.09 4.60 23.72 28.21 131.18 -174.56 -126.75 158.35 99.89 0.09 0.01 99.35 0.55 0.01 0.00 0.00 0.00 0.02 0.07 79 P H G 73.82 11.78 15.38 27.57 91.04 -105.16 -58.43 -32.05 3.20 0.01 96.79 0.15 0.19 2.06 0.23 97.36 0.00 0.01 0.00 80 E H G 123.80 4.03 20.98 25.82 89.85 63.28 -70.08 -15.97 2.68 0.02 97.30 0.08 0.14 1.85 0.15 97.77 0.00 0.02 0.00 81 D H G 12.84 21.02 15.74 37.26 93.52 61.64 -87.15 -3.42 3.56 0.04 96.39 0.40 0.33 1.67 0.21 97.35 0.00 0.04 0.00 82 I C C 43.42 16.45 20.08 36.71 114.53 104.51 -77.14 132.83 88.91 11.00 0.09 86.05 2.97 0.06 0.01 0.06 0.00 10.55 0.29 83 A E E 16.13 15.52 22.72 38.23 145.09 144.82 -163.08 175.90 5.56 94.44 0.00 5.17 0.27 0.01 0.00 0.00 0.00 94.27 0.28 84 T E E 38.15 12.72 25.27 38.38 119.61 -82.61 -104.20 135.18 0.57 99.43 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.01 85 Y E E 7.24 25.24 19.37 44.84 124.68 -165.46 -116.71 139.20 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 86 Y E E 33.23 15.64 27.27 42.93 130.22 -170.94 -125.83 146.55 0.90 99.09 0.00 0.78 0.05 0.00 0.00 0.00 0.00 99.14 0.03 87 C E E 3.04 25.31 21.24 46.83 123.92 -157.17 -115.96 138.79 4.48 95.47 0.05 3.88 0.37 0.04 0.01 0.03 0.00 95.55 0.12 88 Q E E 31.43 14.85 25.76 40.59 127.91 -171.09 -124.88 142.43 5.12 94.76 0.12 4.58 0.31 0.06 0.04 0.06 0.00 94.68 0.26 89 Q E E 30.75 18.28 19.35 37.30 121.83 -153.92 -111.95 136.71 15.60 84.07 0.33 12.95 2.27 0.49 0.08 0.23 0.00 83.39 0.60 90 Y E E 68.56 12.20 17.43 30.48 119.33 -162.67 -113.12 130.98 44.08 55.19 0.73 35.40 6.98 1.91 0.14 0.65 0.00 53.06 1.86 91 D C S 73.61 8.44 14.11 23.57 115.79 176.00 -113.69 123.41 83.32 15.43 1.26 25.69 31.20 26.74 0.10 1.34 0.00 13.83 1.10 92 N C S 129.68 1.74 15.40 17.33 99.18 -36.00 -75.45 12.04 96.48 2.45 1.08 14.91 47.36 34.24 0.07 1.22 0.00 1.80 0.42 93 L C S 81.56 7.01 11.31 20.02 123.75 80.96 -109.91 142.18 92.36 6.82 0.82 19.89 63.84 8.78 0.10 0.79 0.00 5.22 1.38 94 P C C 84.24 4.34 16.42 21.54 114.22 -79.90 -68.03 148.13 87.15 12.12 0.73 50.92 28.00 7.90 0.08 0.80 0.00 11.55 0.76 95 R C C 97.81 14.31 13.77 27.71 114.43 -110.04 -78.96 135.46 64.88 34.58 0.54 54.15 6.87 2.04 0.08 0.50 0.00 35.52 0.84 96 T E E 50.65 11.22 19.45 31.24 126.96 -169.43 -123.35 142.55 20.06 79.68 0.26 17.49 1.84 0.43 0.10 0.18 0.00 76.37 3.59 97 F E E 55.93 18.40 16.42 33.97 117.52 -146.40 -100.82 133.66 18.48 81.25 0.27 15.10 2.48 0.58 0.12 0.18 0.00 76.40 5.14 98 G C C 20.60 12.61 18.49 31.28 123.14 -140.86 -81.50 -175.01 60.37 39.34 0.29 42.43 14.58 2.76 0.04 0.28 0.00 39.05 0.85 99 Q C C 120.00 4.66 22.70 27.66 102.78 -56.97 -75.66 37.10 71.37 28.36 0.27 52.55 14.87 2.51 0.03 0.29 0.00 29.17 0.58 100 G C C 16.09 18.63 15.92 33.36 127.45 -128.83 65.02 175.46 63.18 36.71 0.11 55.25 5.08 0.53 0.01 0.10 0.00 38.56 0.46 101 T E E 27.64 16.13 19.50 35.89 127.37 -112.61 -122.16 144.98 7.43 92.56 0.01 6.86 0.31 0.02 0.00 0.00 0.00 92.59 0.22 102 K E E 102.15 9.57 22.98 32.88 119.45 -138.18 -99.78 133.47 0.76 99.24 0.00 0.67 0.03 0.00 0.00 0.00 0.00 99.27 0.02 103 V E E 12.09 22.55 14.60 37.09 121.09 -164.71 -116.24 131.92 0.73 99.26 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.26 0.02 104 E E E 97.57 5.34 23.61 29.28 117.10 -153.22 -103.70 128.05 2.19 97.80 0.00 2.16 0.06 0.01 0.00 0.00 0.00 97.68 0.09 105 I E E 26.87 20.89 10.82 30.93 115.37 -154.80 -98.31 126.67 20.21 79.75 0.04 20.48 0.21 0.03 0.01 0.01 0.00 78.57 0.68 106 K C C 129.53 3.89 19.74 24.37 114.24 -156.51 -98.69 128.16 99.46 0.53 0.00 99.51 0.05 0.01 0.00 0.00 0.00 0.42 0.01