# 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 M C C 78.06 12.53 17.12 29.53 119.67 -158.49 -102.74 130.92 99.91 0.08 0.00 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 H C C 108.12 7.67 20.48 28.33 109.35 -133.63 -88.96 114.82 92.87 6.87 0.26 89.64 2.38 1.18 0.10 0.11 0.00 3.98 2.61 2 V C C 12.78 23.70 10.59 33.45 119.65 -149.32 -103.09 135.39 86.53 13.31 0.16 80.63 4.80 0.20 0.09 0.06 0.00 3.84 10.37 3 K C C 106.43 3.81 23.28 27.17 129.50 -161.81 -115.99 156.86 98.81 1.15 0.04 98.59 0.47 0.05 0.01 0.01 0.00 0.38 0.50 4 K C T 124.91 8.25 14.91 24.56 110.17 -84.75 -59.72 135.07 99.61 0.28 0.11 0.13 0.97 98.66 0.00 0.06 0.00 0.14 0.04 5 G C T 44.33 3.87 19.16 23.88 96.24 25.71 89.38 -6.62 99.91 0.06 0.03 0.14 0.96 98.85 0.00 0.02 0.00 0.04 0.00 6 D C C 35.82 13.68 14.96 29.85 118.08 133.35 -71.10 146.03 97.72 2.27 0.00 96.82 0.99 0.03 0.00 0.00 0.00 2.10 0.07 7 K E E 101.91 7.33 23.94 31.77 115.39 -124.36 -87.91 132.02 2.66 97.32 0.01 2.76 0.08 0.01 0.01 0.00 0.00 96.11 1.03 8 V E E 4.11 25.23 16.02 41.77 133.45 -174.30 -134.35 154.69 1.35 98.64 0.01 1.22 0.07 0.01 0.00 0.00 0.00 98.65 0.04 9 K E E 71.11 9.35 26.55 36.70 121.19 -136.70 -109.99 134.37 1.87 98.07 0.06 1.71 0.13 0.05 0.02 0.03 0.00 97.95 0.10 10 V E E 9.85 22.51 15.79 39.01 109.43 -120.44 -77.04 123.45 18.04 81.86 0.09 17.90 0.47 0.06 0.03 0.05 0.00 80.53 0.95 11 I C C 57.36 10.17 21.51 32.59 99.73 176.35 -99.94 -25.76 92.59 7.14 0.26 62.55 27.43 2.48 0.04 0.29 0.00 6.68 0.53 12 T C S 60.72 4.89 22.24 27.77 140.64 11.43 -152.49 158.69 96.53 2.97 0.49 8.53 83.02 5.44 0.07 0.35 0.00 1.62 0.98 13 G C S 36.83 4.62 18.57 24.40 127.15 33.50 91.67 -162.54 94.16 1.32 4.53 5.90 78.83 9.91 0.39 3.48 0.00 0.49 0.98 14 K C T 154.39 2.41 18.64 21.50 93.59 -46.74 -69.58 -22.17 89.91 0.91 9.18 1.53 19.10 69.16 0.34 8.87 0.00 0.46 0.54 15 D C T 32.42 16.32 12.59 29.25 96.24 52.27 -99.29 8.10 92.32 0.73 6.95 4.10 10.15 76.88 0.35 7.73 0.00 0.45 0.34 16 K C T 101.65 10.77 13.91 25.89 110.83 133.87 -61.13 132.13 97.89 0.64 1.47 1.25 2.10 94.82 0.15 1.06 0.00 0.29 0.34 17 G C T 51.20 3.46 19.69 23.63 94.09 20.93 85.39 -2.26 98.97 0.41 0.62 0.99 2.56 95.48 0.04 0.57 0.00 0.31 0.05 18 K C C 81.62 10.34 17.86 29.10 121.04 125.12 -81.84 148.49 96.92 2.97 0.11 91.90 4.47 0.52 0.02 0.11 0.00 2.74 0.23 19 S E E 57.48 10.32 20.50 31.55 129.50 -156.83 -119.98 148.91 9.95 90.02 0.03 9.53 0.58 0.04 0.02 0.02 0.00 87.79 2.02 20 G E E 10.42 13.48 21.41 35.85 144.82 139.55 -169.62 -177.56 1.91 98.09 0.01 1.51 0.22 0.01 0.00 0.00 0.00 98.22 0.03 21 K E E 87.18 7.90 25.85 34.63 120.29 -76.58 -101.84 138.44 0.46 99.54 0.00 0.41 0.02 0.00 0.00 0.00 0.00 99.57 0.01 22 V E E 5.75 24.84 14.71 40.62 109.27 -116.16 -74.84 124.46 0.41 99.59 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 23 L E E 64.78 8.37 23.54 32.70 100.50 175.51 -96.96 -32.28 1.16 98.83 0.00 0.74 0.24 0.01 0.00 0.00 0.00 99.00 0.00 24 A E E 40.29 7.08 25.90 34.16 141.36 -0.02 -156.48 152.80 0.34 99.66 0.00 0.23 0.03 0.00 0.00 0.00 0.00 99.73 0.00 25 A E E 19.36 22.24 14.47 35.97 125.56 -162.74 -130.77 132.90 0.75 99.24 0.00 0.64 0.04 0.00 0.00 0.00 0.00 99.30 0.02 26 F E E 55.79 8.15 19.16 29.30 110.35 -161.69 -113.29 104.85 6.98 93.00 0.02 6.37 0.40 0.03 0.01 0.01 0.00 92.79 0.40 27 P C G 68.23 10.72 13.56 25.52 93.80 -175.67 -64.84 -31.25 54.45 1.05 44.49 1.86 3.04 46.20 0.49 47.48 0.00 0.81 0.12 28 K C T 166.30 0.74 16.23 15.44 93.00 53.76 -68.42 -34.63 56.87 0.33 42.81 0.88 2.39 50.67 0.50 45.30 0.00 0.19 0.08 29 K C T 117.08 3.71 16.01 20.28 97.27 33.13 -97.65 -4.65 57.89 0.13 41.97 0.87 2.52 50.49 0.39 45.61 0.00 0.07 0.04 30 D C T 62.00 12.29 15.34 28.48 94.81 -126.57 56.45 41.65 99.62 0.10 0.27 2.80 2.54 94.37 0.03 0.18 0.00 0.08 0.01 31 R E E 59.79 11.77 21.80 34.34 135.10 125.58 -132.52 156.00 4.16 95.83 0.00 3.34 0.38 0.04 0.00 0.00 0.00 96.11 0.12 32 V E E 4.06 24.66 18.26 43.80 122.43 -145.48 -117.45 133.84 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 33 L E E 36.24 11.30 26.52 38.94 116.92 -151.71 -105.41 127.02 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 34 I E E 6.44 24.49 16.94 41.97 118.75 -168.55 -113.64 126.12 0.27 99.73 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 35 E E E 91.60 7.40 23.10 30.84 118.87 -151.11 -90.32 142.28 14.04 85.83 0.13 5.55 3.19 5.20 0.01 0.13 0.00 85.78 0.14 36 G C S 37.95 5.79 21.96 28.47 96.22 19.20 77.04 10.39 72.19 27.58 0.23 15.43 34.89 19.27 0.01 0.27 0.00 29.81 0.31 37 I C C 26.96 21.46 12.61 33.09 113.01 143.57 -88.27 125.82 64.25 34.96 0.79 50.46 9.61 3.34 0.10 0.76 0.00 34.73 0.99 38 N C E 80.10 7.86 21.02 29.10 105.38 -146.44 -98.06 58.52 52.85 46.45 0.69 35.15 12.68 5.17 0.09 0.68 0.00 45.25 0.99 39 M E E 70.11 13.46 15.60 29.23 119.61 138.67 -102.50 133.47 23.97 75.62 0.41 19.87 3.74 0.73 0.12 0.29 0.00 73.58 1.66 40 V E E 60.39 11.19 15.24 27.33 123.07 -166.50 -115.71 136.26 13.55 86.18 0.27 12.02 1.40 0.32 0.09 0.17 0.00 84.97 1.02 41 K E E 113.44 7.59 14.88 23.80 116.64 -140.85 -98.40 130.57 16.29 83.16 0.54 13.98 1.90 0.58 0.18 0.36 0.00 81.93 1.07 42 K E E 110.92 7.40 13.03 21.88 118.21 -158.13 -102.36 134.45 33.60 64.43 1.97 25.91 6.00 1.96 0.35 1.57 0.00 63.33 0.87 43 H E E 116.13 6.04 11.93 19.57 115.52 -137.87 -97.70 129.87 48.52 50.16 1.32 36.77 10.04 2.30 0.25 1.13 0.00 48.11 1.39 44 T C C 76.86 6.49 11.15 19.35 119.50 -162.08 -107.10 139.20 68.09 30.94 0.97 55.32 11.10 1.35 0.24 0.83 0.00 27.83 3.32 45 K C C 131.23 3.60 12.09 17.37 115.89 -117.61 -85.22 138.06 91.01 8.55 0.43 81.27 8.80 0.90 0.14 0.30 0.00 7.44 1.15 46 P C C 79.14 6.37 9.69 17.71 111.25 -105.76 -67.02 147.15 85.43 5.39 9.17 63.84 9.33 11.62 1.66 8.16 0.00 3.99 1.41 47 S C C 73.58 3.64 9.67 15.02 112.44 -142.68 -94.56 135.36 84.48 4.71 10.81 42.98 20.12 21.30 1.72 9.36 0.01 2.39 2.12 48 N C S 126.91 1.81 9.66 12.66 99.51 -110.01 -77.52 -14.81 87.35 2.29 10.36 24.00 34.88 28.78 1.53 8.46 0.00 1.10 1.23 49 V C S 115.73 1.63 10.60 12.83 100.26 53.66 -84.72 -20.56 89.96 2.65 7.39 23.95 39.48 26.96 1.51 5.39 0.01 1.26 1.44 50 N C C 79.88 5.49 8.56 15.91 112.53 38.38 -116.83 103.63 92.28 5.76 1.96 45.57 40.16 6.25 0.54 1.44 0.00 2.27 3.77 51 P C T 103.19 2.94 10.32 14.99 95.86 -159.01 -66.23 -18.77 85.63 1.25 13.12 16.05 14.16 54.22 1.15 13.14 0.00 0.75 0.52 52 Q C T 135.29 1.95 12.01 14.72 100.06 56.89 -88.16 2.39 81.86 3.48 14.66 14.14 14.31 52.74 1.54 13.76 0.01 2.22 1.28 53 G C C 34.92 7.22 11.83 20.48 115.73 -120.82 89.21 167.36 84.80 5.53 9.66 42.28 20.53 21.52 0.85 9.80 0.00 3.48 1.53 54 G C C 33.17 6.69 14.02 22.01 119.63 -154.73 100.39 -173.55 79.85 18.46 1.69 48.38 21.76 9.75 0.24 1.67 0.00 16.67 1.54 55 I E E 87.26 9.91 12.74 23.57 120.70 -55.30 -107.81 134.71 27.48 72.37 0.16 23.70 3.26 0.42 0.04 0.13 0.00 70.26 2.19 56 L E E 73.64 7.65 15.31 24.52 122.18 -165.62 -116.02 137.11 8.63 91.34 0.03 7.95 0.53 0.05 0.01 0.02 0.00 90.95 0.49 57 N E E 93.85 9.27 14.24 24.70 118.27 -148.03 -105.19 131.22 6.27 93.71 0.02 5.39 0.70 0.04 0.00 0.01 0.00 93.74 0.12 58 V E E 61.01 8.67 16.46 26.53 129.77 174.72 -132.93 145.02 4.16 95.82 0.02 3.74 0.33 0.03 0.00 0.01 0.00 95.71 0.17 59 E E E 106.49 9.04 17.05 27.05 115.94 -119.33 -84.54 134.67 7.83 92.15 0.02 7.29 0.44 0.04 0.00 0.01 0.00 91.84 0.37 60 A E E 21.42 14.96 16.94 32.64 133.92 167.28 -138.23 153.14 28.70 71.29 0.01 27.08 0.74 0.02 0.00 0.01 0.00 71.96 0.20 61 P E E 63.24 9.45 22.71 32.28 114.08 -104.06 -69.05 143.56 24.37 75.62 0.01 21.51 2.12 0.08 0.00 0.01 0.00 75.76 0.51 62 I E E 12.01 23.66 15.61 39.41 127.47 -168.40 -125.63 141.83 12.36 87.63 0.01 11.66 0.68 0.03 0.00 0.01 0.00 83.94 3.68 63 H E E 64.42 8.82 24.75 34.19 114.54 -122.61 -81.17 135.16 23.42 76.56 0.02 24.76 0.31 0.02 0.01 0.01 0.00 70.28 4.62 64 V H G 25.95 21.63 16.05 37.39 91.72 -127.05 -60.27 -30.55 8.16 0.36 91.48 1.20 0.97 5.04 1.33 91.11 0.00 0.35 0.01 65 S H G 64.15 7.62 22.36 30.87 90.39 66.48 -71.12 -14.17 7.41 0.25 92.35 0.44 0.66 5.54 1.01 92.12 0.00 0.23 0.01 66 N H G 53.16 12.83 21.27 34.77 96.59 54.33 -100.47 3.30 8.37 0.30 91.34 0.97 1.07 5.23 0.83 91.63 0.00 0.25 0.01 67 V C E 7.47 24.93 16.27 41.68 119.72 95.65 -96.02 136.30 48.78 47.86 3.36 37.56 9.51 1.42 1.71 1.80 0.02 39.05 8.93 68 M E E 51.99 13.29 25.50 38.59 125.88 -167.82 -120.02 140.00 44.75 55.07 0.17 42.73 1.71 0.19 0.07 0.09 0.00 52.39 2.82 69 L E E 31.81 18.78 21.36 39.49 114.99 -123.18 -82.98 134.24 41.02 58.87 0.11 34.22 5.85 0.33 0.03 0.09 0.00 58.41 1.07 70 L E B 39.54 14.34 18.35 33.35 121.82 -157.23 -111.75 135.01 10.23 89.72 0.05 9.40 0.41 0.02 0.06 0.01 0.00 44.59 45.52 71 D C C 32.94 11.18 14.83 28.18 108.03 -126.87 -83.00 117.13 90.90 9.08 0.02 91.54 0.57 0.05 0.01 0.01 0.00 6.79 1.03 72 P C T 77.30 8.13 13.72 23.51 92.53 -153.46 -65.55 -25.04 99.79 0.05 0.16 0.33 3.28 96.20 0.01 0.14 0.00 0.03 0.01 73 K C T 158.80 1.09 14.75 15.30 97.59 46.92 -77.41 -38.44 99.74 0.06 0.19 0.13 2.53 97.13 0.00 0.16 0.00 0.03 0.02 74 T C T 80.43 2.97 13.34 17.13 101.53 21.29 -103.39 -17.78 99.72 0.09 0.19 0.62 4.28 94.84 0.01 0.18 0.00 0.05 0.02 75 G C C 42.26 6.80 11.96 20.53 95.95 -126.07 76.94 7.49 99.07 0.74 0.18 73.69 11.52 13.84 0.04 0.17 0.00 0.47 0.27 76 E C C 103.71 3.54 17.35 22.00 118.51 137.95 -82.01 143.12 89.72 10.24 0.04 70.99 19.23 0.24 0.01 0.04 0.00 8.44 1.04 77 P E B 70.94 9.60 16.87 27.16 114.31 -103.71 -65.37 144.78 8.96 90.97 0.06 8.05 0.50 0.04 0.08 0.02 0.00 44.47 46.85 78 T C C 22.42 18.56 14.79 33.18 129.89 -164.45 -125.41 152.77 59.32 40.63 0.04 56.58 2.18 0.12 0.01 0.03 0.00 40.52 0.55 79 R E E 100.23 9.16 23.37 32.94 118.13 -120.89 -98.54 136.15 20.55 79.42 0.03 18.90 1.46 0.07 0.01 0.02 0.00 78.27 1.28 80 V E E 25.81 20.51 16.23 36.26 119.12 -147.02 -101.21 133.00 9.79 90.20 0.01 9.32 0.34 0.02 0.00 0.00 0.00 90.12 0.20 81 G E E 13.41 10.50 21.81 33.38 139.51 159.07 -149.76 176.65 2.34 97.66 0.00 2.02 0.13 0.01 0.00 0.00 0.00 97.79 0.05 82 Y E E 95.68 13.82 15.90 29.78 129.06 -116.15 -129.44 146.00 1.23 98.77 0.00 1.08 0.04 0.00 0.00 0.00 0.00 98.84 0.03 83 E E E 77.86 7.49 16.47 25.42 131.47 -174.09 -135.77 152.13 1.03 98.97 0.00 0.87 0.05 0.00 0.00 0.00 0.00 99.06 0.01 84 V E E 86.24 6.64 12.14 20.60 116.17 -129.50 -99.67 127.66 3.68 96.31 0.01 3.07 0.28 0.02 0.00 0.00 0.00 96.58 0.05 85 K E E 101.88 5.86 9.50 17.35 117.51 173.80 -129.47 116.80 9.39 90.53 0.09 6.09 2.16 0.73 0.01 0.08 0.00 90.57 0.35 86 G C T 67.89 0.41 11.63 10.48 100.08 -29.61 58.86 -31.59 99.58 0.27 0.15 0.62 6.18 92.80 0.00 0.17 0.00 0.20 0.02 87 D C T 136.37 0.61 10.43 10.75 95.25 -39.07 22.18 9.60 99.78 0.12 0.11 0.64 6.23 92.90 0.00 0.12 0.00 0.08 0.01 88 K E E 118.26 3.07 11.62 16.66 124.88 98.23 -112.04 146.26 6.16 93.83 0.01 4.26 1.49 0.08 0.00 0.01 0.00 93.99 0.17 89 K E E 106.44 7.54 12.80 22.03 115.61 -124.88 -88.27 131.27 1.36 98.64 0.00 1.20 0.03 0.00 0.00 0.00 0.00 98.75 0.01 90 V E E 26.68 12.74 15.45 30.09 128.46 -173.37 -125.52 145.49 0.58 99.42 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.46 0.00 91 R E E 66.84 12.28 19.68 32.84 115.96 -130.25 -95.30 130.13 0.26 99.74 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 92 V E E 20.65 14.15 19.28 34.82 128.85 -173.76 -126.37 145.04 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.83 0.03 93 A E E 10.33 16.10 14.98 33.00 110.23 -114.06 -72.71 128.59 6.23 93.77 0.01 6.11 0.12 0.01 0.00 0.00 0.00 93.36 0.40 94 K C T 101.21 9.23 17.23 27.45 94.03 -147.98 -66.61 -31.98 98.64 1.06 0.30 0.98 3.51 94.37 0.01 0.26 0.00 0.79 0.09 95 K C T 136.05 3.36 17.36 21.37 96.95 45.95 -77.33 -39.09 99.43 0.25 0.31 0.12 1.81 97.67 0.00 0.22 0.00 0.11 0.06 96 S C T 59.87 4.29 15.77 21.01 101.66 21.27 -106.39 -14.78 99.66 0.09 0.25 0.44 2.68 96.58 0.01 0.21 0.00 0.05 0.02 97 G C C 35.80 9.51 13.25 23.96 95.37 -122.37 80.08 7.54 99.27 0.59 0.14 86.43 5.73 7.09 0.03 0.11 0.00 0.43 0.17 98 E C C 92.95 4.56 16.93 23.02 117.61 145.80 -74.53 143.55 92.05 7.92 0.03 89.88 2.41 0.11 0.00 0.02 0.00 7.01 0.56 99 V E E 79.83 8.76 16.07 25.85 112.87 -114.56 -77.12 131.26 2.60 97.37 0.03 2.50 0.14 0.01 0.04 0.01 0.00 71.56 25.73 100 I E E 45.57 16.01 11.41 27.16 105.32 -167.85 -91.23 -0.68 39.97 59.87 0.16 35.08 2.96 0.59 0.03 0.14 0.00 60.52 0.67 101 D C C 93.06 4.81 15.16 21.10 118.91 1.34 -104.44 133.22 69.99 29.80 0.21 66.67 1.50 1.03 0.04 0.16 0.00 29.79 0.81 102 K C C 142.94 4.70 14.00 20.29 106.58 -135.08 -85.43 95.30 99.74 0.25 0.01 99.70 0.09 0.03 0.00 0.00 0.00 0.17 0.01