# 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 P C C 81.98 5.81 19.32 25.62 112.76 -100.00 -67.71 142.65 99.89 0.11 0.00 99.63 0.27 0.03 0.00 0.00 0.00 0.07 0.01 1 M E E 54.34 18.19 11.24 28.42 121.02 -141.18 -103.86 136.87 48.10 51.78 0.12 46.53 1.14 0.23 0.03 0.08 0.00 50.41 1.58 2 R E E 135.27 4.31 20.63 26.01 122.24 -161.65 -119.30 133.34 15.55 84.31 0.13 14.25 1.13 0.17 0.06 0.08 0.00 81.70 2.62 3 L E E 45.09 19.50 11.70 30.34 114.45 -138.34 -89.43 128.02 22.22 77.64 0.14 20.86 1.13 0.17 0.05 0.09 0.00 75.23 2.46 4 T C C 71.59 6.63 19.97 27.26 104.77 -167.20 -99.89 -11.31 61.33 38.52 0.15 42.00 19.08 0.90 0.03 0.15 0.00 36.60 1.24 5 Q C S 78.07 11.35 15.99 27.76 125.60 23.57 -120.74 141.51 84.97 14.96 0.06 25.69 58.53 0.83 0.01 0.05 0.00 14.22 0.66 6 P C C 59.31 10.02 17.04 27.69 115.59 -58.35 -68.27 151.18 94.20 5.69 0.12 84.89 8.23 0.88 0.01 0.12 0.00 5.49 0.38 7 R C S 125.62 10.03 16.64 27.11 95.29 -138.14 -76.53 -23.27 93.06 6.86 0.08 25.52 66.03 1.17 0.00 0.08 0.00 6.94 0.24 8 S E E 52.80 8.53 19.84 29.27 137.06 14.63 -145.09 150.12 22.13 77.76 0.11 16.84 4.93 0.48 0.01 0.14 0.00 77.17 0.43 9 V E E 28.25 18.83 15.81 34.47 131.71 -174.40 -138.05 144.23 3.01 96.99 0.00 2.77 0.15 0.00 0.00 0.00 0.00 96.96 0.11 10 S E E 59.47 8.62 23.25 32.71 123.54 -154.13 -115.95 137.55 0.89 99.11 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.11 0.03 11 V E E 15.32 20.58 14.73 35.28 131.92 -176.22 -136.97 146.95 3.43 96.57 0.00 3.40 0.10 0.00 0.00 0.00 0.00 95.98 0.51 12 S C C 46.71 5.94 22.93 28.94 119.48 -115.31 -76.87 155.10 92.04 7.93 0.03 91.72 0.65 0.08 0.01 0.01 0.00 7.11 0.41 13 P C T 61.04 13.71 14.30 28.20 109.79 -82.62 -59.33 135.61 99.59 0.18 0.23 0.14 1.98 97.60 0.01 0.15 0.00 0.09 0.03 14 G C T 50.99 3.17 19.29 23.10 95.29 21.55 86.99 -5.50 99.68 0.13 0.19 0.22 2.04 97.51 0.01 0.14 0.00 0.07 0.01 15 Q C C 80.98 7.34 18.45 26.97 128.18 106.12 -103.12 157.24 92.73 7.16 0.11 67.05 25.59 0.39 0.02 0.11 0.00 6.09 0.75 16 T C C 67.76 10.73 19.05 30.26 125.96 -128.60 -112.01 145.35 58.08 41.91 0.01 58.78 0.44 0.02 0.00 0.00 0.00 40.18 0.57 17 A E E 7.90 22.60 15.91 38.60 128.52 -162.59 -125.40 143.78 0.84 99.15 0.00 0.82 0.02 0.00 0.00 0.00 0.00 99.11 0.06 18 R E E 116.69 8.11 25.27 34.17 120.78 -151.37 -114.33 132.17 0.28 99.72 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.01 19 I E E 4.43 26.03 17.32 44.15 122.03 -169.25 -118.05 132.06 2.11 97.89 0.00 1.98 0.06 0.00 0.00 0.00 0.00 97.94 0.02 20 T E E 48.32 9.51 27.57 38.02 120.91 -156.11 -105.03 135.88 9.19 90.80 0.01 8.51 0.34 0.02 0.00 0.00 0.00 90.97 0.15 21 C E E 4.61 26.24 16.91 43.55 122.76 -168.47 -116.95 137.94 20.77 79.20 0.04 19.51 0.77 0.07 0.01 0.02 0.00 78.40 1.21 22 G E E 19.36 12.10 24.88 37.01 132.84 155.24 -149.60 -175.70 38.20 61.65 0.15 32.71 4.35 0.48 0.05 0.13 0.00 59.15 3.12 23 G C C 27.21 11.61 20.16 31.92 134.18 67.89 128.13 -170.01 69.16 29.67 1.16 44.08 22.10 4.25 0.19 1.24 0.00 24.73 3.40 24 D C S 91.74 5.80 21.20 27.70 115.14 -55.59 -100.22 130.86 86.45 11.95 1.60 27.55 46.85 12.61 0.17 1.66 0.00 9.44 1.73 25 N C C 85.43 9.74 18.79 28.64 100.91 -44.88 -37.25 57.34 91.53 6.42 2.05 54.73 24.32 12.28 0.27 2.28 0.00 4.46 1.65 26 I C C 54.65 16.62 14.76 30.71 100.77 165.54 -80.57 9.21 89.61 7.75 2.64 43.87 17.66 28.46 0.45 2.37 0.00 4.92 2.27 27 G C T 45.65 6.16 21.02 27.59 99.62 -58.69 86.30 1.62 91.52 6.58 1.90 28.28 29.74 33.90 0.20 1.96 0.00 4.57 1.35 28 S C C 33.86 14.49 15.20 29.93 121.09 111.58 -97.33 147.09 86.77 11.57 1.65 63.57 17.58 5.31 0.25 1.81 0.00 8.53 2.94 29 K C S 120.15 8.20 20.23 29.10 98.57 -153.78 -89.60 -13.80 86.40 13.17 0.43 28.05 54.41 3.88 0.04 0.42 0.00 12.27 0.92 30 S E E 35.06 11.15 23.69 35.32 129.23 47.66 -126.59 145.69 38.17 61.35 0.48 26.91 9.42 2.25 0.06 0.46 0.00 60.21 0.68 31 V E E 3.68 26.00 17.87 44.53 127.18 -168.50 -126.01 137.95 7.89 92.08 0.03 7.35 0.47 0.04 0.01 0.02 0.00 91.84 0.28 32 H E E 38.96 14.57 27.83 42.51 126.09 -166.77 -117.91 141.49 1.75 98.25 0.01 1.66 0.07 0.01 0.00 0.00 0.00 98.23 0.03 33 W E E 7.24 25.00 21.94 47.02 123.60 -153.86 -111.47 138.81 1.04 98.96 0.00 0.94 0.06 0.00 0.00 0.00 0.00 98.98 0.01 34 Y E E 27.31 16.71 24.34 40.95 132.03 -174.96 -129.58 150.08 0.66 99.34 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.35 0.03 35 Q E E 34.43 15.89 20.85 36.91 123.66 -153.88 -116.41 137.15 3.78 96.22 0.00 3.28 0.30 0.01 0.00 0.00 0.00 96.25 0.16 36 Q E E 58.56 13.13 16.36 30.13 116.96 -141.20 -101.30 129.09 38.07 61.90 0.02 33.71 3.10 0.11 0.00 0.02 0.00 62.17 0.88 37 K C C 92.80 7.59 14.52 23.49 119.83 -153.79 -99.77 144.89 94.08 5.88 0.03 89.69 4.34 0.22 0.01 0.03 0.00 4.85 0.86 38 P C T 98.22 3.59 11.74 17.06 110.17 -87.34 -60.76 139.83 99.12 0.24 0.64 1.24 7.06 90.68 0.02 0.79 0.00 0.17 0.06 39 P C T 126.89 0.76 12.71 12.41 95.91 12.87 67.87 6.93 99.18 0.12 0.70 1.12 5.90 91.99 0.02 0.86 0.00 0.09 0.03 40 Q C S 89.87 6.18 9.68 17.74 127.44 98.31 -112.67 158.28 92.36 6.80 0.84 27.59 58.33 6.60 0.10 0.88 0.00 3.38 3.12 41 A C C 71.62 2.76 17.00 19.96 116.91 -98.58 -71.80 148.55 94.25 5.71 0.05 72.58 21.53 0.35 0.01 0.04 0.00 5.03 0.45 42 P C C 54.42 14.81 13.53 28.24 115.22 -96.07 -65.57 145.40 85.78 14.20 0.03 83.05 2.26 0.11 0.00 0.02 0.00 14.22 0.34 43 V E E 37.46 13.68 18.87 33.42 121.86 -155.17 -114.35 135.15 3.79 96.20 0.01 3.45 0.23 0.01 0.01 0.00 0.00 95.89 0.40 44 L E E 48.72 15.25 21.24 36.36 113.62 -125.96 -82.58 129.42 0.70 99.30 0.01 0.64 0.02 0.00 0.00 0.00 0.00 99.30 0.03 45 V E E 13.39 21.16 20.75 41.35 111.45 -173.06 -106.87 34.66 2.34 97.62 0.04 2.10 0.12 0.02 0.01 0.01 0.00 97.70 0.05 46 I E E 26.99 17.72 22.56 39.80 125.46 -133.65 -122.43 134.79 4.69 95.21 0.09 4.18 0.31 0.06 0.05 0.02 0.00 95.15 0.23 47 Y E E 40.63 16.93 19.42 36.37 123.46 -167.96 -118.24 136.80 23.41 76.04 0.55 19.81 3.18 0.82 0.23 0.31 0.00 74.32 1.33 48 D C C 52.40 11.04 19.15 30.81 110.68 -164.58 -108.05 93.65 66.98 31.00 2.03 42.59 17.30 7.71 0.46 1.64 0.00 28.23 2.06 49 D C T 69.36 11.62 15.25 26.84 99.57 -128.51 -82.84 8.97 88.06 7.09 4.85 20.34 30.86 37.51 0.60 4.23 0.01 5.02 1.43 50 R C T 158.60 3.62 16.84 21.21 101.14 51.31 -88.51 -8.62 91.97 2.95 5.09 14.14 33.36 44.70 0.58 4.45 0.00 1.81 0.96 51 A C S 66.74 5.62 14.91 21.62 109.45 53.72 -95.57 74.65 85.51 10.10 4.39 24.81 37.25 24.31 0.62 3.85 0.01 6.44 2.72 52 R C C 110.51 10.47 13.35 24.40 117.29 -102.43 -100.92 130.45 82.54 16.64 0.82 53.11 27.25 2.65 0.25 0.68 0.00 11.32 4.74 53 P C C 58.73 11.74 12.72 25.16 111.53 -111.98 -68.46 145.63 79.90 14.53 5.58 58.40 8.34 12.15 0.90 5.57 0.00 11.26 3.38 54 S C T 79.14 4.33 15.49 21.23 112.40 -112.96 -82.01 139.10 86.86 7.60 5.54 22.49 18.59 45.84 0.55 5.61 0.00 5.20 1.73 55 G C T 52.65 3.50 17.69 21.90 101.27 19.88 85.97 -0.63 87.24 8.35 4.41 25.41 23.17 39.19 0.35 4.64 0.00 5.64 1.60 56 I C C 36.18 20.03 10.07 28.82 116.65 122.75 -88.88 132.83 88.92 10.66 0.42 61.48 27.24 0.78 0.14 0.30 0.00 6.27 3.80 57 P C C 50.36 8.46 16.21 26.25 114.06 -108.39 -66.38 150.72 91.71 6.42 1.86 86.92 3.22 1.61 0.37 1.47 0.00 4.60 1.82 58 E C T 143.85 3.36 17.12 21.90 92.56 -112.12 -61.52 -29.50 61.40 3.06 35.54 6.73 16.15 37.52 1.04 35.80 0.01 2.25 0.49 59 R C T 110.50 9.73 18.06 28.17 93.36 61.75 -77.28 -11.27 57.44 6.94 35.62 5.17 16.17 36.15 0.97 34.96 0.01 6.05 0.52 60 F E E 22.24 22.58 13.87 35.74 106.77 61.35 -104.24 65.67 19.22 55.37 25.41 11.25 5.50 5.14 1.96 22.11 0.02 53.08 0.94 61 S E E 47.30 9.78 22.37 32.73 131.44 126.87 -124.16 151.66 14.93 84.85 0.21 12.52 2.31 0.26 0.10 0.12 0.00 83.56 1.13 62 G E E 20.85 18.70 15.69 33.19 141.66 173.41 -153.24 162.87 7.63 92.31 0.06 6.59 0.81 0.12 0.02 0.03 0.00 92.13 0.30 63 S E E 58.34 5.67 22.69 29.74 135.18 -159.43 -144.66 154.01 7.43 92.52 0.05 6.26 0.91 0.12 0.01 0.03 0.00 92.48 0.18 64 K E E 88.33 16.38 12.96 28.50 125.66 -159.74 -130.46 135.66 13.93 85.95 0.13 11.03 2.59 0.47 0.02 0.11 0.00 85.17 0.61 65 S E E 72.93 3.20 18.66 22.42 114.45 174.94 -127.43 105.25 30.58 69.09 0.33 23.73 5.98 1.78 0.07 0.32 0.00 66.35 1.77 66 G C T 49.55 3.33 18.30 21.92 108.89 -56.53 62.37 -125.52 99.02 0.64 0.35 1.21 30.49 67.42 0.01 0.34 0.00 0.46 0.07 67 N C T 67.66 13.84 15.19 29.13 97.28 -12.10 -99.26 7.53 99.15 0.58 0.27 1.05 30.80 67.40 0.01 0.26 0.00 0.44 0.05 68 T E E 42.83 10.40 21.54 33.31 124.28 88.12 -112.16 138.21 14.71 85.28 0.01 11.60 2.91 0.14 0.00 0.01 0.00 84.43 0.90 69 A E E 3.16 24.60 17.06 42.35 126.26 -170.32 -124.08 139.79 3.36 96.64 0.00 3.15 0.07 0.00 0.00 0.00 0.00 96.68 0.09 70 T E E 31.41 10.70 27.62 39.58 121.52 -160.61 -116.63 131.65 2.07 97.92 0.00 1.75 0.06 0.00 0.00 0.00 0.00 98.17 0.01 71 L E E 2.13 26.83 19.37 47.27 120.61 -165.56 -116.32 129.33 0.35 99.65 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 72 A E E 30.44 10.39 27.66 39.04 120.20 -164.08 -114.58 128.52 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 73 I E E 5.13 25.22 17.64 43.55 117.35 -166.20 -114.49 122.46 1.39 98.61 0.00 1.41 0.01 0.00 0.00 0.00 0.00 98.34 0.24 74 S C E 46.05 8.13 23.80 32.17 128.78 -172.30 -116.41 153.55 62.85 37.11 0.03 35.29 22.29 3.80 0.00 0.05 0.00 38.19 0.37 75 G C S 45.46 3.72 24.11 28.35 94.16 15.80 66.65 30.88 91.15 8.83 0.02 9.70 75.23 4.73 0.00 0.03 0.00 10.19 0.13 76 V C C 12.23 24.50 10.33 34.13 117.00 164.45 -81.14 138.85 87.77 12.21 0.02 88.51 0.65 0.02 0.01 0.01 0.00 8.24 2.56 77 E C C 104.48 3.69 24.14 27.80 126.49 -154.62 -108.78 154.34 89.70 10.23 0.07 89.68 0.52 0.04 0.04 0.02 0.00 2.41 7.29 78 A C T 60.71 12.06 15.17 27.20 108.40 -94.75 -60.06 135.24 99.14 0.25 0.61 0.22 1.83 97.16 0.01 0.60 0.00 0.10 0.08 79 G C T 49.22 3.64 20.45 24.32 96.01 27.77 87.16 -3.20 99.29 0.10 0.61 0.41 1.93 96.49 0.01 1.10 0.00 0.06 0.01 80 D C C 34.60 16.84 14.29 31.24 112.83 131.39 -70.55 135.79 98.26 1.53 0.21 94.96 3.12 0.18 0.02 0.20 0.00 1.25 0.26 81 E C C 103.93 8.58 21.86 31.12 117.97 -155.00 -104.11 131.22 63.70 36.03 0.28 60.69 2.92 0.30 0.12 0.16 0.00 25.52 10.29 82 A E E 17.00 16.94 19.02 35.91 139.96 139.56 -151.80 172.59 42.62 57.28 0.11 35.28 6.21 0.46 0.02 0.11 0.00 56.11 1.83 83 D E E 56.11 10.26 25.27 35.91 114.49 -100.08 -86.67 132.09 12.09 87.83 0.07 10.83 1.13 0.12 0.02 0.05 0.00 87.40 0.46 84 Y E E 7.16 25.77 18.09 44.10 125.91 -168.49 -120.65 140.79 4.14 95.82 0.04 3.82 0.41 0.05 0.02 0.02 0.00 95.18 0.49 85 Y E E 42.18 14.86 28.04 43.11 131.70 -171.06 -131.30 148.49 6.23 93.73 0.05 5.47 0.54 0.08 0.01 0.03 0.00 93.60 0.25 86 C E E 1.98 26.63 21.68 48.68 125.39 -157.16 -119.92 138.51 9.98 89.97 0.05 8.83 0.74 0.08 0.01 0.03 0.00 90.13 0.17 87 Q E E 27.82 16.23 27.92 43.96 127.54 -171.34 -124.06 143.23 5.79 94.16 0.05 5.34 0.32 0.04 0.01 0.02 0.00 94.12 0.14 88 V E E 6.15 24.11 21.77 45.79 121.55 -156.22 -114.46 132.02 4.49 95.46 0.05 4.09 0.29 0.05 0.01 0.02 0.00 95.30 0.23 89 W E E 51.41 13.98 22.62 36.99 127.19 -170.45 -124.06 143.05 5.36 94.56 0.07 4.74 0.52 0.08 0.04 0.04 0.00 93.36 1.21 90 D E E 30.42 13.69 16.53 31.35 112.09 -140.51 -96.01 121.30 40.06 59.81 0.13 35.18 3.14 0.49 0.02 0.11 0.00 60.31 0.75 91 S C T 64.52 8.12 15.12 24.55 94.92 -150.34 -72.50 -18.42 93.63 4.54 1.83 13.14 24.27 55.86 0.12 1.99 0.00 4.18 0.44 92 S C T 88.40 1.39 15.62 16.46 98.24 51.47 -90.97 -16.37 96.20 1.65 2.15 10.10 28.72 57.15 0.13 2.38 0.00 1.15 0.36 93 S C S 54.97 6.44 12.96 20.62 119.83 29.49 -122.83 162.27 96.09 1.91 2.00 20.37 51.85 23.75 0.15 2.14 0.00 1.27 0.48 94 D C S 105.02 4.80 15.57 21.73 98.84 -128.54 -75.13 20.73 92.94 6.19 0.87 33.42 40.36 19.24 0.10 0.88 0.00 5.44 0.55 95 V E E 61.11 10.20 16.33 27.58 120.40 116.63 -105.10 135.43 47.02 52.78 0.20 38.83 6.77 0.73 0.05 0.18 0.00 51.53 1.90 96 L E E 51.25 15.82 17.18 32.86 119.85 -158.79 -109.97 129.39 11.60 88.30 0.10 9.89 0.82 0.14 0.05 0.06 0.00 83.13 5.91 97 F E E 60.29 15.87 19.53 34.84 118.29 -155.67 -100.63 133.58 24.46 75.22 0.32 17.35 6.07 2.12 0.09 0.26 0.00 72.44 1.67 98 G C E 24.26 15.46 19.25 33.51 118.97 9.34 100.03 -143.70 66.32 33.07 0.61 30.97 26.74 8.58 0.07 0.61 0.00 31.85 1.17 99 G C C 37.64 10.12 21.53 31.23 104.28 -84.71 -81.23 -1.12 79.54 19.81 0.65 43.08 29.09 7.34 0.08 0.73 0.00 18.49 1.20 100 G C C 23.92 14.86 17.39 31.45 121.45 -123.18 93.62 175.16 71.24 28.31 0.45 47.49 19.99 3.59 0.06 0.52 0.00 27.07 1.28 101 T E E 50.19 15.16 16.70 31.28 121.13 -103.83 -105.52 138.64 38.23 61.53 0.24 33.15 3.66 0.61 0.06 0.21 0.00 59.93 2.37 102 R E E 136.33 6.16 19.23 26.73 118.06 -141.42 -97.52 133.97 18.13 81.63 0.24 15.94 1.39 0.27 0.15 0.14 0.00 75.41 6.71 103 L C C 62.47 16.17 11.14 26.65 114.56 -141.31 -90.40 129.46 54.08 45.68 0.24 53.76 0.63 0.21 0.11 0.11 0.00 42.68 2.50 104 T C C 80.42 5.66 17.18 23.91 116.87 -173.46 -108.39 136.35 99.68 0.32 0.01 99.69 0.05 0.02 0.00 0.00 0.00 0.22 0.01