# 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 100.24 4.02 20.97 25.15 103.28 -131.83 -81.00 58.61 99.87 0.13 0.00 99.80 0.09 0.02 0.00 0.00 0.00 0.08 0.00 1 I C C 31.86 21.40 10.55 30.64 118.01 -154.15 -98.93 130.85 67.24 32.64 0.12 66.08 0.55 0.21 0.02 0.06 0.00 32.29 0.78 2 Q E E 99.23 4.77 22.31 27.79 121.59 -167.19 -115.60 135.78 25.25 74.56 0.19 22.70 1.91 0.35 0.06 0.12 0.00 73.90 0.95 3 M E E 44.04 21.00 12.80 32.80 122.72 -161.40 -112.54 134.16 14.94 84.93 0.13 13.82 0.91 0.16 0.05 0.07 0.00 83.88 1.11 4 T E E 65.87 6.94 21.69 29.26 125.98 -172.06 -123.88 142.47 18.29 81.54 0.17 16.28 1.55 0.27 0.06 0.10 0.00 79.97 1.77 5 Q E E 71.13 15.13 15.24 29.96 125.65 -160.48 -122.93 139.42 45.04 54.74 0.22 35.76 8.62 0.78 0.05 0.19 0.00 53.24 1.35 6 S C C 54.99 9.41 17.54 27.67 121.13 -142.37 -104.43 147.46 81.96 17.88 0.16 55.89 24.32 1.17 0.02 0.16 0.00 17.73 0.71 7 P C C 59.11 8.67 17.07 26.63 115.59 15.17 -72.52 151.11 89.55 9.75 0.70 61.63 22.79 4.34 0.07 0.79 0.00 9.81 0.57 8 A C S 62.31 10.10 16.37 27.07 97.12 -151.03 -82.45 -23.53 80.43 19.08 0.49 29.42 46.65 3.24 0.04 0.50 0.00 19.55 0.60 9 S E E 57.28 6.73 20.46 28.38 135.71 15.67 -144.88 149.67 20.34 79.26 0.40 16.13 3.81 0.73 0.05 0.35 0.00 78.41 0.52 10 L E E 33.79 19.42 14.84 33.67 131.36 -175.67 -138.87 145.75 3.98 96.00 0.03 3.59 0.30 0.03 0.01 0.02 0.00 95.85 0.22 11 S E E 65.39 6.42 23.19 30.87 124.72 -156.94 -119.49 140.52 3.07 96.92 0.01 2.78 0.21 0.02 0.00 0.01 0.00 96.81 0.18 12 A E E 12.26 19.58 14.58 34.30 138.38 168.52 -147.55 159.78 15.91 84.05 0.03 14.17 1.04 0.06 0.01 0.02 0.00 84.35 0.34 13 S E E 54.05 4.95 23.81 28.61 123.89 -115.84 -91.14 158.48 36.50 63.36 0.14 33.19 2.62 0.30 0.06 0.10 0.00 57.70 6.02 14 V C T 60.27 15.34 14.09 29.26 109.34 -83.58 -60.25 134.67 98.59 1.06 0.34 0.46 3.63 94.91 0.02 0.23 0.00 0.62 0.12 15 G C T 46.11 4.16 19.98 24.86 95.73 22.57 88.77 -6.07 99.54 0.28 0.18 0.61 4.55 94.46 0.01 0.15 0.00 0.19 0.03 16 E C C 77.38 8.99 17.03 27.23 121.92 123.08 -80.40 152.11 96.83 3.09 0.08 66.12 30.62 0.35 0.01 0.07 0.00 2.47 0.34 17 T C C 77.66 7.99 19.56 28.56 119.00 -125.92 -94.50 136.09 71.94 28.06 0.01 72.49 0.41 0.02 0.00 0.00 0.00 26.61 0.47 18 V E E 11.13 22.41 14.52 37.00 127.26 -170.47 -125.48 141.73 0.84 99.16 0.00 0.87 0.01 0.00 0.00 0.00 0.00 99.02 0.10 19 T E E 61.85 7.93 25.12 33.54 119.23 -146.74 -109.08 129.65 0.32 99.68 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.66 0.01 20 I E E 4.53 25.68 16.71 43.21 120.48 -167.76 -114.95 129.24 1.21 98.79 0.00 1.15 0.03 0.00 0.00 0.00 0.00 98.81 0.01 21 T E E 42.80 9.63 27.06 37.43 121.89 -164.86 -113.52 134.72 7.00 93.00 0.00 6.46 0.14 0.00 0.00 0.00 0.00 93.35 0.04 22 C E E 3.93 25.79 16.89 43.15 126.79 -171.88 -125.69 139.24 9.30 90.69 0.00 8.39 0.39 0.01 0.00 0.00 0.00 91.09 0.11 23 R E E 104.56 7.31 27.54 35.71 119.84 -162.07 -115.38 130.68 5.77 94.22 0.02 5.47 0.28 0.02 0.01 0.01 0.00 93.27 0.96 24 A E E 10.11 23.92 14.25 37.72 122.70 -159.00 -101.67 146.92 37.82 62.06 0.12 36.63 1.20 0.14 0.04 0.07 0.00 59.44 2.49 25 S C C 41.25 8.61 19.98 29.17 120.77 -124.47 -85.52 167.42 77.07 22.37 0.56 68.15 7.07 1.43 0.11 0.52 0.00 20.66 2.07 26 E C T 134.93 4.10 18.17 23.08 96.08 -86.68 -69.18 -20.82 93.43 4.15 2.42 5.03 27.71 61.01 0.19 2.21 0.00 3.17 0.68 27 N C T 95.54 5.38 20.02 25.82 103.29 52.19 -90.39 52.08 94.75 3.51 1.74 14.23 22.34 58.03 0.15 1.81 0.00 3.00 0.44 28 I C C 31.48 20.80 14.60 34.31 114.93 106.50 -92.18 126.94 81.72 16.68 1.59 62.76 14.92 3.28 0.43 1.38 0.00 10.79 6.43 29 Y C C 74.86 13.21 22.04 35.04 119.95 -169.92 -106.85 136.50 83.14 16.27 0.59 74.44 6.38 1.61 0.13 0.51 0.00 14.94 2.00 30 S C S 38.74 14.62 21.65 35.50 102.39 -150.68 -97.89 -21.40 80.54 19.21 0.25 27.36 50.05 2.31 0.02 0.23 0.00 19.49 0.55 31 Y E E 68.63 12.19 24.61 37.17 129.05 40.21 -129.13 141.19 25.44 74.31 0.26 20.26 4.21 0.72 0.04 0.21 0.00 74.10 0.47 32 L E E 3.94 26.09 19.22 45.68 125.97 -169.38 -124.02 138.86 5.11 94.86 0.02 4.65 0.34 0.03 0.01 0.01 0.00 94.83 0.13 33 A E E 14.62 15.97 27.58 43.67 126.20 -166.16 -120.99 142.66 1.15 98.85 0.00 1.04 0.05 0.00 0.00 0.00 0.00 98.89 0.02 34 W E E 9.04 24.42 21.92 46.26 123.00 -156.71 -113.00 138.47 0.58 99.42 0.00 0.52 0.02 0.00 0.00 0.00 0.00 99.45 0.01 35 Y E E 26.60 16.20 23.76 40.17 132.31 -174.53 -131.83 150.42 0.52 99.48 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.51 0.02 36 Q E E 37.86 14.75 21.05 36.18 122.30 -150.12 -113.47 137.75 2.50 97.49 0.01 2.08 0.23 0.02 0.00 0.00 0.00 97.59 0.08 37 Q E E 52.88 13.46 15.42 29.63 118.04 -141.42 -100.00 133.07 28.21 71.74 0.04 25.34 1.92 0.13 0.01 0.03 0.00 71.72 0.85 38 K C C 96.04 6.52 14.56 22.51 119.44 -144.36 -91.43 147.19 91.64 8.22 0.14 87.92 3.25 0.60 0.04 0.11 0.00 6.83 1.25 39 Q C T 142.52 2.34 11.17 15.35 108.77 -83.69 -59.38 131.90 99.29 0.26 0.45 0.69 5.40 93.24 0.02 0.42 0.00 0.17 0.06 40 G C T 69.37 0.27 12.48 10.11 95.75 16.57 83.35 -2.53 99.49 0.11 0.40 0.78 5.19 93.49 0.01 0.42 0.00 0.07 0.02 41 K C S 111.50 4.18 10.00 16.29 129.14 91.24 -115.23 160.05 93.03 6.57 0.39 29.25 62.57 1.56 0.09 0.28 0.00 2.45 3.81 42 S C C 79.30 1.98 16.46 18.38 116.59 -92.98 -70.70 150.02 97.30 2.67 0.03 86.06 11.26 0.18 0.01 0.03 0.00 2.12 0.34 43 P C C 46.76 17.54 10.62 27.30 115.03 -101.85 -66.03 144.93 90.66 9.29 0.05 88.35 2.21 0.16 0.01 0.04 0.00 8.89 0.35 44 Q E E 88.22 6.98 20.82 28.64 123.14 -154.87 -116.08 135.71 8.81 91.10 0.09 7.66 1.03 0.12 0.03 0.05 0.00 90.55 0.56 45 L E E 65.75 15.23 17.52 32.40 111.02 -118.71 -75.60 126.21 1.20 98.78 0.02 1.07 0.06 0.01 0.01 0.01 0.00 98.81 0.04 46 L E E 26.13 17.75 20.08 37.76 101.30 176.58 -95.31 -33.29 2.61 97.33 0.06 1.88 0.56 0.05 0.02 0.01 0.00 97.45 0.03 47 V E E 19.59 18.60 21.00 39.43 135.53 5.53 -147.17 141.46 0.89 99.08 0.03 0.73 0.07 0.01 0.01 0.00 0.00 99.14 0.03 48 Y E E 56.44 17.91 20.41 37.34 126.59 -173.55 -130.72 134.81 7.06 92.72 0.22 5.69 0.96 0.27 0.08 0.10 0.00 92.65 0.25 49 N E E 49.98 11.90 22.15 34.20 111.75 -168.69 -113.42 99.08 41.72 56.68 1.60 27.45 11.53 3.46 0.56 0.97 0.00 55.17 0.86 50 A C C 26.37 17.58 14.80 31.87 111.97 118.14 -93.44 121.04 61.43 23.84 14.72 33.99 17.22 12.30 4.33 9.34 0.06 20.63 2.13 51 K C S 136.62 4.36 19.36 24.48 98.05 -125.35 -81.88 -23.78 69.44 10.69 19.87 19.69 26.98 25.21 5.65 12.27 0.17 7.98 2.05 52 T C C 76.25 4.94 19.74 25.10 126.19 29.21 -133.11 144.43 60.59 18.63 20.78 25.89 18.05 19.38 6.67 12.51 0.25 14.00 3.25 53 L C C 56.94 17.48 11.59 28.07 116.31 -119.68 -87.82 132.34 64.72 21.76 13.52 49.75 9.22 5.35 7.17 6.65 0.05 16.72 5.10 54 I C C 76.30 9.10 14.70 25.11 118.39 -155.94 -103.02 134.69 71.17 19.49 9.34 54.25 8.52 7.23 5.57 4.10 0.03 14.48 5.81 55 E C T 145.57 2.80 15.39 19.59 111.31 -101.21 -69.23 132.97 84.26 9.67 6.07 14.08 13.19 57.18 2.90 3.05 0.03 7.37 2.22 56 G C T 56.13 2.62 17.00 20.14 98.12 19.45 84.17 -2.34 94.24 3.28 2.48 15.89 19.67 58.85 0.54 1.83 0.00 2.60 0.63 57 V C C 34.18 17.51 10.21 27.27 117.16 117.65 -99.10 130.81 88.02 11.22 0.76 56.04 30.70 1.87 0.28 0.51 0.00 6.05 4.55 58 P C C 63.61 7.69 17.58 26.38 110.51 -112.83 -66.66 145.89 85.37 8.12 6.51 53.13 14.44 17.29 1.11 6.13 0.00 6.44 1.46 59 S C C 62.03 11.17 16.49 27.65 98.71 -112.60 -79.19 -0.56 81.36 9.72 8.91 40.34 19.13 22.32 1.05 8.37 0.01 7.50 1.28 60 R C C 105.97 10.24 19.93 30.22 103.41 90.32 -94.73 16.01 67.80 23.79 8.41 36.02 21.42 11.46 1.16 6.94 0.01 21.61 1.36 61 F E E 28.70 22.27 13.75 35.27 123.46 108.40 -112.77 137.27 24.44 74.51 1.05 20.05 4.22 1.09 0.42 0.66 0.00 72.04 1.53 62 S E E 54.20 7.00 23.70 31.90 134.42 -176.46 -137.28 155.12 8.58 91.23 0.18 7.59 0.84 0.18 0.08 0.09 0.00 90.62 0.61 63 G E E 22.37 18.36 15.77 32.95 140.76 165.41 -158.98 167.97 7.65 92.27 0.09 6.54 0.83 0.15 0.02 0.05 0.00 92.05 0.36 64 S E E 63.96 5.33 21.93 28.87 135.92 -167.39 -145.53 156.58 12.20 87.72 0.08 10.59 1.29 0.21 0.02 0.05 0.00 87.37 0.47 65 G E E 29.18 11.44 15.73 27.82 140.34 139.48 118.17 168.48 27.59 72.26 0.15 20.10 7.29 1.05 0.02 0.15 0.00 70.45 0.94 66 S C E 75.43 3.37 21.40 25.20 116.31 -112.09 -120.72 120.34 54.58 45.04 0.38 39.90 12.66 2.84 0.08 0.42 0.00 41.48 2.63 67 G C S 31.30 11.39 19.03 30.25 107.14 -51.15 66.11 -122.68 98.59 0.89 0.53 1.82 52.02 44.91 0.02 0.49 0.00 0.63 0.10 68 T C S 53.38 14.74 17.02 31.59 97.83 -8.21 -99.50 0.39 98.62 0.95 0.43 1.89 51.93 44.96 0.01 0.40 0.00 0.72 0.09 69 Q E E 76.10 8.63 22.69 32.50 121.67 85.17 -109.72 133.71 32.75 67.11 0.14 23.08 9.75 1.06 0.02 0.17 0.00 63.81 2.12 70 F E E 6.86 24.95 16.13 41.61 128.14 -174.10 -127.25 141.43 10.52 89.48 0.00 10.06 0.29 0.02 0.00 0.00 0.00 89.32 0.31 71 S E E 26.00 10.68 27.32 39.12 125.11 -165.63 -121.41 140.07 2.76 97.24 0.00 2.38 0.11 0.00 0.00 0.00 0.00 97.47 0.04 72 L E E 3.18 26.24 18.64 45.76 122.37 -166.36 -119.16 130.43 0.29 99.71 0.00 0.31 0.00 0.00 0.00 0.00 0.00 99.69 0.00 73 K E E 75.65 9.46 27.45 37.52 119.77 -163.73 -115.66 128.68 0.12 99.88 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.01 74 I E E 6.55 24.58 16.11 41.37 118.19 -166.95 -113.08 126.41 2.12 97.88 0.00 2.21 0.02 0.00 0.00 0.00 0.00 97.41 0.35 75 N C C 70.75 6.87 23.39 30.46 122.90 -170.14 -107.03 152.77 93.97 5.99 0.04 51.19 37.87 3.72 0.00 0.07 0.00 6.94 0.20 76 S C S 64.25 4.91 24.32 29.36 99.68 11.24 62.85 63.30 99.27 0.71 0.02 8.85 86.39 4.07 0.00 0.02 0.00 0.61 0.06 77 L C C 15.34 24.27 10.53 34.46 113.76 -141.23 -75.68 132.98 99.39 0.60 0.01 97.93 1.55 0.02 0.00 0.00 0.00 0.20 0.31 78 Q C C 79.63 4.71 24.09 28.65 130.23 -173.37 -124.91 156.36 99.91 0.08 0.01 99.63 0.29 0.00 0.00 0.00 0.00 0.01 0.05 79 P H G 74.02 11.94 15.14 27.44 90.89 -106.62 -58.20 -32.27 3.00 0.01 96.99 0.14 0.17 1.92 0.25 97.50 0.00 0.01 0.00 80 E H G 131.80 2.92 21.10 24.56 89.73 62.75 -70.18 -17.34 2.45 0.02 97.53 0.07 0.13 1.70 0.17 97.91 0.00 0.02 0.00 81 D H G 13.76 20.93 15.60 36.94 93.82 60.18 -88.07 -4.59 3.25 0.04 96.71 0.35 0.29 1.56 0.24 97.54 0.00 0.03 0.00 82 F C C 54.16 17.38 18.55 35.78 116.06 107.98 -71.73 137.86 92.25 7.65 0.10 88.92 3.32 0.10 0.01 0.09 0.00 7.29 0.28 83 G E E 13.19 10.44 23.69 35.82 142.62 92.34 154.62 -170.10 5.45 94.54 0.01 4.77 0.57 0.03 0.00 0.00 0.00 94.33 0.29 84 S E E 32.60 12.32 24.97 37.76 121.74 -46.68 -104.96 138.77 0.82 99.18 0.00 0.74 0.04 0.00 0.00 0.00 0.00 99.21 0.02 85 Y E E 7.41 25.21 19.54 44.97 124.76 -164.75 -118.64 139.18 0.41 99.59 0.00 0.34 0.02 0.00 0.00 0.00 0.00 99.63 0.01 86 F E E 28.69 16.32 27.36 43.54 129.93 -170.46 -126.91 145.00 0.89 99.11 0.00 0.75 0.05 0.00 0.00 0.00 0.00 99.17 0.03 87 C E E 2.67 25.49 21.48 47.31 122.88 -159.26 -115.57 135.53 5.13 94.81 0.05 4.37 0.48 0.06 0.02 0.03 0.00 94.94 0.10 88 Q E E 35.15 14.49 26.13 40.60 124.21 -166.21 -118.76 136.34 3.95 95.93 0.12 3.42 0.29 0.07 0.04 0.05 0.00 96.01 0.12 89 H E E 22.61 20.39 18.51 38.54 123.06 -161.86 -114.73 136.15 5.54 94.29 0.17 4.41 0.81 0.21 0.04 0.10 0.00 94.22 0.21 90 H E E 75.49 9.84 19.70 30.31 120.00 -159.35 -111.40 130.44 14.82 84.98 0.20 11.94 2.17 0.49 0.05 0.14 0.00 84.54 0.68 91 F E E 85.84 11.32 13.12 25.12 114.39 -174.84 -117.23 109.88 49.05 50.37 0.58 28.60 15.30 6.30 0.08 0.56 0.00 48.06 1.11 92 G C S 54.16 2.03 15.38 17.74 114.58 -43.00 80.47 -141.38 95.93 3.40 0.68 12.34 49.74 33.85 0.04 0.73 0.00 2.93 0.36 93 T C S 102.10 2.30 13.83 17.21 117.49 -13.27 -102.20 134.61 96.03 3.39 0.58 14.62 58.46 22.94 0.04 0.65 0.00 2.87 0.42 94 P C C 79.46 5.28 15.49 21.98 115.11 -5.83 -72.10 148.60 65.69 34.02 0.30 44.03 17.44 2.94 0.04 0.32 0.00 34.46 0.78 95 F E E 69.43 15.88 12.68 28.41 116.91 -129.55 -91.22 136.44 32.37 67.56 0.07 29.15 1.67 0.25 0.01 0.05 0.00 68.48 0.38 96 T E E 54.66 10.04 21.36 31.92 127.96 -170.10 -124.07 142.72 5.88 94.09 0.02 5.38 0.33 0.04 0.01 0.01 0.00 93.16 1.07 97 F E E 56.67 18.93 16.76 34.81 118.51 -137.94 -97.77 134.28 11.98 87.96 0.06 10.55 1.05 0.16 0.02 0.04 0.00 86.62 1.56 98 G C C 18.06 14.01 18.19 32.30 121.93 -137.95 -79.00 177.56 65.27 34.53 0.21 48.78 12.87 2.10 0.03 0.21 0.00 35.42 0.61 99 S C C 72.76 5.37 23.02 28.59 100.80 -72.09 -74.99 17.55 75.52 24.27 0.21 53.45 18.03 2.51 0.02 0.24 0.00 25.23 0.53 100 G C C 16.16 18.28 16.94 33.96 127.45 -125.26 85.14 175.66 70.94 28.95 0.11 62.10 5.87 0.60 0.01 0.11 0.00 30.87 0.44 101 T E E 26.69 16.89 19.42 36.37 128.91 -112.38 -125.60 146.79 12.46 87.53 0.01 11.49 0.47 0.02 0.00 0.01 0.00 87.77 0.23 102 E E E 93.59 9.35 23.93 33.57 119.62 -137.08 -101.28 134.46 0.93 99.07 0.00 0.80 0.05 0.00 0.00 0.00 0.00 99.11 0.03 103 L E E 11.83 23.35 14.90 38.29 120.60 -163.54 -113.81 131.22 0.81 99.19 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.16 0.02 104 E E E 90.05 6.15 23.96 30.46 118.56 -159.04 -107.98 129.30 2.38 97.61 0.00 2.35 0.08 0.01 0.00 0.00 0.00 97.43 0.12 105 I E E 26.83 20.77 11.41 31.48 115.99 -154.19 -99.91 126.37 21.92 78.05 0.04 22.19 0.20 0.03 0.01 0.01 0.00 76.81 0.74 106 K C C 127.37 4.16 19.89 24.84 114.70 -157.15 -98.31 129.95 99.56 0.44 0.00 99.60 0.05 0.01 0.00 0.00 0.00 0.33 0.01