# 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 H C C 108.21 7.78 22.79 30.38 103.72 -120.60 -86.58 58.48 99.84 0.16 0.00 99.49 0.32 0.09 0.00 0.00 0.00 0.08 0.02 1 V C C 12.43 23.93 10.89 34.05 120.87 148.90 -103.40 135.82 82.86 17.07 0.07 84.45 0.38 0.03 0.04 0.01 0.00 3.71 11.38 2 K C C 111.22 3.47 23.00 26.44 127.35 -161.14 -112.28 156.43 98.49 1.47 0.04 98.41 0.37 0.05 0.01 0.01 0.00 0.43 0.72 3 K C T 127.59 7.77 14.59 23.90 109.99 -84.09 -59.99 134.86 99.64 0.24 0.13 0.12 0.89 98.78 0.00 0.06 0.00 0.11 0.04 4 G C T 44.78 3.93 18.97 23.77 96.39 25.22 89.38 -6.77 99.90 0.06 0.04 0.13 0.93 98.88 0.00 0.02 0.00 0.04 0.00 5 D C C 37.44 13.33 15.06 29.62 117.96 133.63 -71.49 146.39 98.05 1.94 0.00 97.28 0.90 0.02 0.00 0.00 0.00 1.72 0.07 6 K E E 100.45 7.66 23.91 32.04 115.39 -123.24 -86.43 132.58 2.52 97.47 0.01 2.62 0.07 0.00 0.01 0.00 0.00 96.41 0.89 7 V E E 3.81 25.31 16.44 42.32 133.25 -174.26 -134.32 153.54 1.21 98.78 0.01 1.11 0.05 0.01 0.00 0.00 0.00 98.78 0.04 8 M E E 52.69 10.40 26.57 37.91 121.16 -138.02 -111.68 133.96 1.88 98.07 0.06 1.72 0.12 0.05 0.02 0.03 0.00 97.97 0.10 9 V E E 9.70 22.48 16.58 39.76 109.20 -120.82 -77.12 123.36 16.50 83.41 0.09 16.41 0.42 0.06 0.03 0.04 0.00 82.20 0.84 10 I C C 55.18 10.94 21.68 33.39 99.84 176.17 -99.04 -26.04 91.04 8.63 0.34 61.92 25.52 3.32 0.04 0.37 0.00 8.24 0.58 11 S C S 48.09 5.25 22.69 28.58 141.69 8.57 -153.99 160.10 96.44 3.07 0.50 8.61 81.58 6.66 0.06 0.39 0.00 1.85 0.85 12 G C S 36.28 4.70 18.77 24.67 128.18 34.66 94.75 -163.12 95.68 1.37 2.95 6.13 81.75 8.22 0.34 2.07 0.00 0.52 0.98 13 K C T 154.37 2.47 18.84 21.79 93.67 -48.25 -69.90 -22.15 91.21 0.96 7.84 1.57 20.77 68.90 0.33 7.39 0.01 0.48 0.55 14 D C T 32.32 16.44 12.64 29.36 96.37 51.76 -99.13 8.40 93.48 0.86 5.66 4.56 11.09 76.74 0.32 6.39 0.00 0.55 0.36 15 K C T 101.55 10.84 13.97 25.98 110.94 133.82 -61.68 132.29 97.71 0.75 1.54 1.46 2.34 94.17 0.16 1.16 0.00 0.36 0.36 16 G C T 50.53 3.61 19.82 23.93 94.33 21.12 85.99 -2.41 98.81 0.53 0.66 1.23 2.94 94.66 0.04 0.63 0.00 0.42 0.07 17 K C C 78.40 10.95 17.54 29.34 120.78 126.12 -79.06 147.07 96.94 2.95 0.11 93.02 3.46 0.45 0.02 0.10 0.00 2.76 0.20 18 Q E E 96.24 9.43 20.80 31.30 126.63 -151.55 -116.45 144.15 8.16 91.81 0.03 7.86 0.45 0.04 0.02 0.01 0.00 89.60 2.02 19 G E E 9.12 13.96 21.47 36.36 144.84 135.27 -172.30 -176.38 1.94 98.05 0.00 1.57 0.19 0.01 0.00 0.00 0.00 98.20 0.03 20 T E E 48.99 8.94 26.00 36.00 120.35 -72.57 -102.44 138.98 0.61 99.39 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 21 I E E 5.48 25.07 15.38 41.65 109.06 -116.08 -75.45 123.81 0.48 99.52 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 22 L E E 61.59 9.01 23.93 33.70 100.68 175.41 -97.16 -32.00 1.23 98.77 0.00 0.79 0.26 0.01 0.00 0.00 0.00 98.93 0.00 23 A E E 37.96 7.68 26.17 35.13 141.54 0.14 -156.60 152.78 0.32 99.68 0.00 0.22 0.03 0.00 0.00 0.00 0.00 99.74 0.00 24 A E E 17.82 22.51 14.97 36.85 125.41 -162.61 -129.33 132.75 0.75 99.25 0.00 0.63 0.04 0.00 0.00 0.00 0.00 99.30 0.02 25 F E E 52.84 8.65 19.48 30.11 110.33 -162.23 -113.14 103.99 8.19 91.79 0.02 7.50 0.45 0.03 0.01 0.01 0.00 91.61 0.40 26 P C G 66.86 11.15 13.83 26.10 93.93 -175.16 -65.00 -31.21 54.49 1.06 44.45 2.06 3.12 45.69 0.49 47.69 0.00 0.83 0.11 27 K C T 165.63 0.79 16.49 15.80 92.99 53.77 -68.35 -34.00 56.95 0.37 42.68 0.99 2.56 50.11 0.48 45.53 0.00 0.23 0.08 28 K C T 115.11 4.06 16.19 20.87 97.52 32.96 -98.12 -3.91 58.34 0.15 41.51 0.97 2.73 50.10 0.38 45.70 0.00 0.08 0.04 29 D C T 63.02 12.37 15.71 28.83 94.81 -126.94 56.48 42.03 99.65 0.10 0.26 2.90 2.78 94.04 0.03 0.17 0.00 0.07 0.01 30 R E E 56.89 12.31 21.97 34.98 135.39 125.05 -133.75 156.22 4.70 95.30 0.00 3.72 0.47 0.05 0.00 0.00 0.00 95.62 0.13 31 V E E 3.49 25.01 18.69 44.65 122.02 -145.06 -116.35 134.13 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 32 L E E 34.17 11.93 26.99 39.99 117.21 -152.43 -105.47 127.41 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 33 V E E 4.16 25.25 17.34 43.34 117.97 -167.76 -113.02 125.22 0.25 99.75 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 34 E E E 88.70 7.91 23.94 32.04 119.11 -150.51 -89.22 143.66 11.47 88.46 0.07 5.04 2.76 2.94 0.00 0.07 0.00 89.07 0.12 35 G C E 34.85 6.71 22.80 30.25 96.85 18.07 76.77 13.44 60.71 39.14 0.16 14.40 29.62 14.32 0.01 0.19 0.00 41.20 0.27 36 V C E 19.68 22.60 13.22 34.88 113.33 145.03 -89.24 124.76 53.35 46.33 0.33 43.90 6.69 1.64 0.04 0.32 0.00 46.74 0.67 37 N E E 76.35 8.17 22.29 30.55 106.25 -147.91 -100.15 73.23 42.03 57.67 0.29 29.98 8.98 2.50 0.03 0.32 0.00 57.57 0.62 38 M E E 62.34 15.14 15.85 30.82 120.17 116.85 -104.02 133.69 17.63 82.24 0.13 14.77 2.56 0.33 0.03 0.10 0.00 81.39 0.83 39 V E E 56.82 11.22 16.62 28.74 122.73 -166.66 -117.00 136.55 7.70 92.22 0.09 6.78 0.72 0.13 0.03 0.05 0.00 91.90 0.39 40 K E E 107.18 8.94 15.42 25.45 117.53 -140.95 -99.42 131.30 7.54 92.28 0.18 6.41 0.84 0.22 0.06 0.11 0.00 91.99 0.36 41 K E E 104.02 7.94 14.03 23.39 119.59 -159.30 -108.54 134.89 15.12 84.15 0.73 12.75 1.84 0.55 0.22 0.48 0.00 83.58 0.58 42 H E E 110.39 7.22 12.37 21.03 116.53 -143.34 -96.70 134.43 31.97 67.46 0.57 25.55 5.98 1.12 0.12 0.48 0.00 65.50 1.24 43 S C C 55.55 7.44 11.55 20.56 120.92 -157.09 -105.66 145.82 59.90 39.53 0.57 46.86 12.09 1.16 0.13 0.54 0.00 36.01 3.22 44 K C C 140.04 2.90 13.30 17.60 115.60 -111.88 -84.08 138.70 89.63 10.14 0.23 77.93 10.72 0.70 0.05 0.19 0.00 9.38 1.01 45 P C C 76.12 7.35 9.34 18.29 112.55 -104.40 -66.35 146.76 90.94 6.85 2.22 76.50 9.51 4.55 0.49 1.95 0.00 4.94 2.06 46 T C C 77.58 3.94 9.89 15.61 121.87 -150.27 -105.57 158.22 85.22 12.28 2.50 64.59 13.50 5.53 0.82 1.75 0.00 4.68 9.13 47 Q C T 153.13 1.07 9.64 11.32 94.97 -104.49 -67.39 -29.39 95.68 1.33 2.99 6.95 42.02 47.06 0.44 2.22 0.00 0.73 0.57 48 A C T 94.11 0.86 10.70 11.28 97.71 44.36 -82.15 -22.64 96.82 0.81 2.37 6.28 40.81 49.94 0.31 1.86 0.00 0.44 0.35 49 N C S 79.09 5.24 8.70 15.89 112.49 28.20 -128.51 90.59 85.95 12.89 1.16 34.39 48.24 3.50 0.34 0.83 0.00 5.54 7.16 50 P C T 95.00 3.99 10.09 16.15 96.73 -171.50 -66.64 -21.29 87.98 5.94 6.08 29.65 18.12 40.25 0.62 5.94 0.00 4.22 1.20 51 Q C T 131.64 2.19 13.38 16.29 101.95 60.52 -88.89 6.86 81.81 11.40 6.79 27.31 18.51 36.72 0.78 6.20 0.02 7.73 2.73 52 G C C 28.81 9.86 11.57 22.36 120.76 -138.34 89.78 172.60 85.34 11.75 2.91 53.40 18.48 13.17 0.32 3.08 0.00 9.77 1.79 53 G C C 32.01 6.84 15.90 23.82 124.62 -146.66 132.90 -173.63 61.30 38.13 0.57 38.85 19.52 3.58 0.09 0.55 0.00 36.18 1.23 54 I E E 84.90 11.38 13.65 25.54 121.53 -73.10 -106.57 135.83 11.49 88.47 0.03 10.10 1.25 0.11 0.01 0.02 0.00 86.90 1.61 55 S E E 44.32 8.60 15.79 25.87 126.25 -171.55 -121.80 145.60 4.30 95.69 0.01 4.00 0.21 0.02 0.00 0.01 0.00 95.42 0.33 56 N E E 95.77 9.45 14.71 25.30 117.82 -151.31 -108.05 127.07 6.85 93.13 0.01 5.27 1.41 0.07 0.00 0.01 0.00 93.12 0.12 57 Q E E 83.21 6.92 18.18 26.26 130.65 169.55 -132.33 148.44 7.40 92.57 0.03 6.15 1.11 0.07 0.00 0.02 0.00 92.41 0.24 58 E E E 100.89 10.60 16.91 28.04 116.48 -118.35 -82.93 137.10 13.14 86.84 0.02 12.39 0.68 0.06 0.01 0.01 0.00 86.23 0.62 59 A E E 19.73 15.34 17.41 33.40 135.20 170.26 -140.34 153.18 29.93 70.07 0.01 28.47 0.74 0.02 0.00 0.01 0.00 70.44 0.32 60 P E E 62.10 10.07 23.10 33.15 113.83 -103.35 -68.86 141.73 24.60 75.39 0.01 21.37 2.51 0.10 0.00 0.01 0.00 75.36 0.65 61 I E E 11.84 23.68 16.23 39.95 128.80 -171.23 -127.13 142.50 16.50 83.48 0.01 15.46 0.95 0.04 0.00 0.01 0.00 79.06 4.46 62 H E E 61.41 9.46 25.22 35.32 112.17 -120.64 -80.59 130.91 31.33 68.64 0.02 32.50 0.41 0.02 0.01 0.01 0.00 62.46 4.58 63 V H G 18.28 23.09 16.45 39.41 91.78 -132.44 -61.33 -29.80 8.48 0.33 91.19 1.43 1.01 4.85 1.00 91.39 0.00 0.30 0.01 64 S H G 59.47 9.09 22.83 32.73 90.55 66.88 -71.11 -15.03 7.24 0.18 92.58 0.42 0.63 5.23 0.78 92.79 0.00 0.15 0.00 65 N H G 53.67 12.80 22.21 35.69 96.72 53.38 -100.42 3.35 8.40 0.21 91.38 0.92 1.01 5.12 0.67 92.09 0.00 0.17 0.01 66 V C C 6.20 25.56 16.67 42.79 119.69 97.86 -96.51 136.08 57.47 39.79 2.74 42.89 12.64 1.55 1.19 1.53 0.01 30.39 9.79 67 M C C 51.16 13.62 25.92 39.29 123.16 -167.95 -119.60 134.06 56.30 43.65 0.06 53.61 2.48 0.12 0.02 0.04 0.00 42.00 1.73 68 P E E 24.10 18.67 21.30 39.37 114.87 -120.88 -72.73 143.40 48.96 50.99 0.04 40.73 7.26 0.26 0.01 0.05 0.00 50.76 0.94 69 L E B 43.72 14.10 18.46 33.15 119.47 -142.27 -106.30 133.30 8.11 91.86 0.03 7.38 0.30 0.01 0.04 0.00 0.00 40.71 51.56 70 D C C 33.52 11.26 14.66 28.05 107.72 -124.63 -82.65 117.10 91.14 8.85 0.02 91.82 0.46 0.04 0.00 0.01 0.00 6.76 0.90 71 P C T 78.67 7.90 13.68 23.25 92.71 -155.81 -65.57 -25.18 99.81 0.04 0.16 0.28 2.84 96.70 0.00 0.14 0.00 0.02 0.01 72 K C T 156.89 1.22 14.48 15.43 97.77 46.83 -76.76 -38.83 99.75 0.06 0.19 0.10 2.20 97.49 0.00 0.15 0.00 0.03 0.02 73 T C T 80.42 2.94 13.18 16.97 101.65 21.18 -103.91 -17.48 99.77 0.06 0.18 0.42 3.41 95.96 0.00 0.16 0.00 0.03 0.01 74 G C C 43.23 6.35 11.85 20.06 95.72 -125.17 76.85 6.37 99.29 0.53 0.18 73.71 9.65 15.92 0.03 0.15 0.00 0.35 0.19 75 E C C 101.61 3.62 16.96 21.79 118.56 137.74 -81.73 144.65 88.22 11.73 0.04 74.71 13.55 0.27 0.01 0.04 0.00 10.42 1.01 76 V E E 77.58 9.51 16.86 27.08 114.03 -104.89 -69.80 141.07 5.07 94.90 0.03 4.82 0.25 0.01 0.05 0.01 0.00 49.72 45.13 77 T C C 20.65 18.13 15.04 33.19 131.12 -172.59 -127.11 154.91 56.74 43.23 0.03 54.99 1.39 0.07 0.01 0.02 0.00 43.12 0.41 78 R E E 96.59 9.45 23.47 33.22 118.26 -119.22 -95.22 135.54 23.25 76.73 0.02 21.32 1.48 0.06 0.00 0.02 0.00 76.17 0.95 79 V E E 21.42 21.19 16.22 36.95 118.81 -143.81 -98.83 133.90 9.85 90.15 0.00 9.37 0.31 0.01 0.00 0.00 0.00 90.13 0.18 80 G E E 12.40 11.06 21.99 34.06 139.25 161.64 -145.15 174.41 1.92 98.08 0.00 1.65 0.10 0.00 0.00 0.00 0.00 98.19 0.05 81 Y E E 94.42 14.08 16.28 30.30 129.17 -121.23 -130.08 145.05 1.25 98.75 0.00 1.10 0.05 0.00 0.00 0.00 0.00 98.83 0.03 82 K E E 84.16 7.55 16.80 25.71 133.08 -178.20 -137.84 155.07 1.18 98.82 0.00 0.99 0.06 0.00 0.00 0.00 0.00 98.93 0.01 83 V E E 86.30 6.68 12.47 20.97 116.55 -127.90 -101.15 127.62 4.04 95.95 0.01 3.38 0.29 0.02 0.00 0.00 0.00 96.25 0.05 84 E E E 87.17 6.97 9.12 18.01 121.32 175.22 -132.84 125.58 8.62 91.30 0.08 5.45 2.02 0.72 0.01 0.08 0.00 91.34 0.38 85 D C T 137.65 0.40 11.58 10.57 93.16 -14.70 51.94 42.18 99.67 0.21 0.12 0.43 4.56 94.72 0.00 0.13 0.00 0.15 0.02 86 G C T 65.07 0.81 10.67 11.49 94.43 -50.71 79.04 2.93 99.83 0.08 0.09 0.46 5.08 94.30 0.00 0.10 0.00 0.06 0.01 87 K E E 120.14 2.72 12.20 16.72 125.98 103.61 -116.96 146.13 5.91 94.09 0.01 3.98 1.52 0.07 0.00 0.00 0.00 94.22 0.20 88 K E E 108.96 7.55 12.88 22.10 114.28 -118.76 -82.33 130.91 1.49 98.51 0.00 1.30 0.04 0.00 0.00 0.00 0.00 98.64 0.02 89 V E E 28.78 12.46 15.23 29.55 128.96 -175.30 -127.25 147.21 0.88 99.12 0.00 0.79 0.01 0.00 0.00 0.00 0.00 99.19 0.01 90 R E E 72.74 12.10 19.37 32.26 115.77 -128.75 -94.70 130.06 0.57 99.43 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.00 91 V E E 21.10 14.06 18.84 34.30 129.39 -173.41 -127.45 145.85 0.48 99.51 0.00 0.42 0.02 0.00 0.00 0.00 0.00 99.39 0.16 92 A E E 10.55 15.95 14.64 32.49 110.96 -112.80 -71.78 129.23 7.87 92.12 0.01 7.60 0.18 0.02 0.00 0.00 0.00 91.43 0.76 93 K C T 104.05 8.83 16.71 26.62 93.85 -144.64 -66.05 -31.17 98.99 0.70 0.32 0.70 3.33 95.13 0.01 0.26 0.00 0.49 0.07 94 K C T 138.26 3.14 16.70 20.55 97.28 45.75 -76.75 -38.27 99.37 0.27 0.35 0.14 1.87 97.55 0.01 0.25 0.00 0.12 0.07 95 S C T 60.07 4.30 14.83 20.24 101.53 21.83 -103.88 -13.81 99.63 0.10 0.27 0.43 2.73 96.52 0.01 0.22 0.00 0.06 0.03 96 G C C 40.17 7.60 12.97 22.11 94.97 -121.24 80.62 7.92 99.42 0.40 0.18 80.90 7.09 11.43 0.04 0.13 0.00 0.27 0.14 97 Q C C 90.48 4.47 15.39 21.63 117.86 145.00 -75.63 144.41 91.95 8.01 0.04 87.46 4.72 0.21 0.01 0.03 0.00 6.65 0.91 98 V E B 88.64 7.19 16.19 24.66 113.67 -112.18 -77.74 134.83 4.25 95.72 0.03 4.05 0.19 0.01 0.06 0.00 0.00 47.06 48.64 99 L C C 37.41 18.79 13.45 31.29 109.57 -150.87 -90.05 126.58 94.37 5.63 0.00 94.28 0.07 0.01 0.00 0.00 0.00 5.61 0.03