# 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 114.68 5.57 12.30 19.30 115.86 -160.58 -94.80 131.61 99.93 0.06 0.00 99.89 0.06 0.01 0.00 0.00 0.00 0.02 0.01 1 R C C 157.34 3.76 11.65 17.34 114.03 -141.15 -93.12 128.11 94.95 3.82 1.23 92.76 0.97 1.86 0.36 0.56 0.00 2.43 1.06 2 V C C 83.96 8.22 10.61 20.13 116.29 -145.13 -92.47 133.63 91.81 6.41 1.78 76.13 10.27 5.29 0.35 1.56 0.00 5.11 1.28 3 K C C 124.12 5.55 14.61 21.91 119.80 -162.48 -107.69 138.33 85.29 12.88 1.83 73.69 8.18 3.19 0.43 1.54 0.00 9.15 3.83 4 M C C 53.95 16.74 13.06 29.29 119.91 -148.30 -108.47 134.16 84.28 14.68 1.04 72.73 9.72 1.88 0.25 0.92 0.00 11.00 3.50 5 H C C 97.13 7.92 23.09 31.16 105.15 -156.96 -93.54 53.24 86.17 13.17 0.67 67.63 16.51 1.94 0.19 0.55 0.00 9.56 3.62 6 V C C 7.61 25.06 12.42 37.34 123.44 81.21 -112.57 137.95 86.82 13.01 0.17 80.73 5.75 0.19 0.10 0.08 0.00 4.76 8.39 7 K C C 100.09 4.89 24.34 29.39 128.73 -157.90 -115.06 158.04 98.97 0.99 0.04 98.64 0.53 0.05 0.01 0.01 0.00 0.37 0.39 8 K C T 117.26 9.51 15.68 26.15 109.84 -84.07 -59.74 135.25 99.65 0.23 0.12 0.15 1.00 98.64 0.00 0.06 0.00 0.11 0.04 9 G C T 44.90 3.77 20.07 24.60 95.44 25.01 88.18 -6.11 99.92 0.04 0.03 0.16 1.00 98.78 0.00 0.02 0.00 0.03 0.00 10 D C C 28.88 15.14 15.06 31.29 118.80 133.68 -70.89 146.62 97.84 2.15 0.00 97.06 0.90 0.02 0.00 0.00 0.00 1.97 0.05 11 T E E 58.25 8.58 24.68 33.78 115.81 -125.79 -90.81 131.34 2.17 97.83 0.01 2.33 0.04 0.00 0.00 0.00 0.00 96.99 0.64 12 V E E 3.13 25.70 16.96 43.36 131.50 -175.17 -130.85 149.92 0.59 99.41 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.41 0.02 13 L E E 44.96 10.46 26.51 38.00 117.80 -135.43 -103.97 130.81 1.01 98.98 0.01 0.96 0.04 0.01 0.00 0.00 0.00 98.94 0.05 14 V E E 8.82 22.52 16.64 39.94 109.37 -124.77 -78.43 122.61 15.99 83.93 0.08 15.98 0.38 0.05 0.02 0.03 0.00 82.82 0.71 15 A C C 34.72 10.85 21.52 33.31 99.52 176.46 -98.42 -25.50 93.58 6.16 0.27 66.73 23.96 2.68 0.04 0.30 0.00 5.80 0.50 16 S C S 47.71 5.31 22.55 28.53 142.01 10.68 -155.20 160.86 97.07 2.38 0.55 8.47 83.09 5.91 0.08 0.37 0.00 1.20 0.87 17 G C S 36.48 4.72 18.68 24.59 128.02 36.08 92.52 -161.84 93.22 1.39 5.39 4.96 80.09 8.79 0.49 4.09 0.00 0.48 1.11 18 K C T 152.73 2.55 18.60 21.72 93.47 -46.69 -70.06 -23.27 88.69 0.79 10.52 1.26 19.95 67.34 0.28 10.32 0.00 0.39 0.47 19 Y C T 50.96 16.39 12.50 29.13 97.26 50.61 -101.38 9.98 90.93 0.70 8.37 3.72 10.67 75.38 0.34 9.13 0.00 0.42 0.35 20 K C T 104.51 10.08 14.00 25.58 111.36 128.43 -61.21 132.95 98.31 0.61 1.09 0.86 1.79 95.93 0.09 0.75 0.00 0.25 0.34 21 G C T 51.50 3.12 19.59 23.19 93.91 20.96 85.86 -2.78 99.26 0.31 0.44 0.75 2.28 96.26 0.02 0.42 0.00 0.23 0.04 22 R C C 87.18 11.25 17.42 29.43 119.76 125.52 -79.38 146.84 97.38 2.54 0.08 93.31 3.70 0.40 0.01 0.08 0.00 2.32 0.18 23 V E E 75.57 10.71 21.11 32.29 125.61 -149.77 -118.09 142.45 6.63 93.35 0.02 6.50 0.36 0.02 0.01 0.01 0.00 90.93 2.16 24 G E E 8.60 15.10 21.03 36.68 144.48 143.88 -166.13 -174.71 1.49 98.50 0.00 1.21 0.16 0.01 0.00 0.00 0.00 98.60 0.02 25 K E E 86.82 7.56 25.93 34.35 119.72 -80.80 -98.26 140.04 0.67 99.33 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.01 26 V E E 6.11 24.74 14.08 39.82 109.53 -114.68 -74.85 125.06 1.16 98.84 0.00 1.11 0.02 0.00 0.00 0.00 0.00 98.85 0.02 27 K E E 86.09 7.33 22.97 31.02 100.64 175.28 -96.00 -33.30 3.31 96.69 0.00 2.13 0.80 0.01 0.00 0.00 0.00 97.04 0.01 28 E E E 84.54 5.63 25.37 31.90 138.84 1.24 -153.57 149.12 0.50 99.50 0.00 0.34 0.05 0.00 0.00 0.00 0.00 99.60 0.00 29 V E E 28.37 21.82 13.77 34.88 122.63 -160.95 -126.18 127.16 0.44 99.56 0.00 0.37 0.02 0.00 0.00 0.00 0.00 99.59 0.01 30 L E E 47.24 7.32 19.10 28.48 109.72 -162.58 -112.58 105.06 6.39 93.60 0.01 5.99 0.26 0.02 0.00 0.01 0.00 93.49 0.23 31 P C G 66.48 11.02 13.08 25.35 93.62 -174.46 -64.72 -32.31 51.87 0.51 47.61 1.02 2.01 45.57 0.39 50.58 0.00 0.37 0.06 32 K C T 166.93 0.73 16.23 15.40 92.63 54.34 -68.57 -35.54 54.47 0.18 45.35 0.45 1.56 49.89 0.35 47.61 0.00 0.10 0.04 33 K C T 118.30 3.44 16.28 20.20 96.98 33.94 -97.16 -5.93 54.86 0.09 45.05 0.51 1.82 48.73 0.32 48.55 0.00 0.04 0.03 34 Y C T 89.83 12.56 15.30 28.81 94.63 -127.05 57.73 43.73 99.66 0.07 0.27 2.38 1.97 95.39 0.03 0.17 0.00 0.05 0.01 35 A E E 19.74 12.54 21.82 35.52 134.70 134.14 -131.90 157.70 3.49 96.50 0.00 2.87 0.26 0.02 0.00 0.00 0.00 96.75 0.09 36 V E E 3.34 25.08 18.67 44.74 121.53 -146.24 -115.27 132.69 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 37 I E E 35.04 11.38 26.86 39.46 116.14 -153.45 -105.82 125.68 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 38 V E E 4.65 24.98 17.17 42.81 116.93 -168.24 -113.43 122.97 0.28 99.72 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 39 E E E 88.28 7.62 23.60 31.43 119.20 -150.53 -88.64 143.35 13.28 86.63 0.09 4.76 2.80 6.30 0.00 0.09 0.00 85.90 0.15 40 G C S 36.82 6.00 22.59 29.42 94.72 20.35 74.24 13.60 70.50 29.35 0.15 12.30 33.85 21.83 0.01 0.17 0.00 31.59 0.25 41 V C C 21.65 21.71 13.51 34.37 108.10 141.62 -87.36 114.10 62.94 36.82 0.24 50.63 8.80 1.72 0.03 0.24 0.00 38.01 0.56 42 N E E 69.57 9.95 20.60 30.66 105.90 44.52 -95.94 67.99 42.76 57.06 0.17 30.04 9.81 2.24 0.02 0.20 0.00 57.12 0.57 43 I E E 65.81 12.03 16.79 29.44 117.82 141.82 -99.02 128.79 11.22 88.76 0.02 9.74 1.15 0.08 0.00 0.02 0.00 88.55 0.47 44 V E E 58.09 12.32 14.86 27.85 122.46 -165.43 -115.24 135.65 4.68 95.31 0.01 4.21 0.26 0.01 0.00 0.00 0.00 95.40 0.11 45 K E E 112.36 7.02 15.75 24.19 119.64 -150.60 -109.00 133.27 2.51 97.48 0.01 2.20 0.14 0.01 0.00 0.00 0.00 97.57 0.07 46 K E E 106.78 8.22 13.20 22.85 120.07 -155.52 -109.31 134.40 4.47 95.50 0.02 3.89 0.37 0.04 0.00 0.01 0.00 95.55 0.15 47 A E E 54.59 8.01 11.68 21.23 117.46 -142.55 -98.37 134.73 12.81 87.13 0.05 11.34 1.08 0.10 0.01 0.03 0.00 87.03 0.40 48 V E E 84.70 6.20 11.96 19.94 120.04 -155.30 -108.05 136.05 28.23 71.70 0.07 25.36 2.55 0.18 0.02 0.05 0.00 70.07 1.75 49 R C C 159.23 2.87 12.41 16.85 116.06 -133.25 -95.19 136.13 67.50 32.44 0.06 62.76 3.61 0.23 0.01 0.05 0.00 32.51 0.82 50 V C C 88.02 6.30 8.78 16.76 113.70 -110.21 -73.59 143.01 78.19 21.63 0.18 71.98 5.37 0.53 0.06 0.15 0.00 19.08 2.83 51 S C C 52.77 4.21 9.31 15.55 126.44 -163.28 -114.78 161.77 83.75 16.00 0.25 76.98 6.13 0.54 0.12 0.16 0.00 7.77 8.32 52 P C T 127.00 0.76 9.10 10.16 91.96 -107.02 -62.81 -28.12 97.95 0.64 1.41 2.45 31.98 63.65 0.13 1.21 0.00 0.42 0.17 53 K C T 172.81 0.46 10.26 9.65 96.73 46.10 -81.95 -24.24 98.28 0.46 1.27 2.59 34.09 61.68 0.12 1.08 0.00 0.29 0.13 54 Y C S 121.91 4.31 7.96 14.16 112.06 28.03 -129.32 86.03 82.60 16.40 1.00 21.24 57.15 5.00 0.19 0.85 0.00 9.69 5.87 55 P C C 102.73 2.72 9.79 14.46 96.79 -171.84 -65.66 -19.63 82.93 15.40 1.68 39.04 21.38 22.93 0.19 1.78 0.00 12.94 1.74 56 Q C C 126.85 2.15 12.41 15.38 111.08 65.83 -94.81 109.56 66.66 31.17 2.18 32.37 17.70 18.17 0.30 2.19 0.02 23.15 6.10 57 G C C 30.08 9.33 10.33 20.68 123.62 -153.53 -87.09 171.19 71.83 27.50 0.67 51.03 13.09 7.21 0.09 0.71 0.00 26.32 1.56 58 G E E 33.91 5.30 15.65 22.02 128.34 -151.97 136.09 -176.49 41.40 58.49 0.11 27.48 12.63 1.40 0.01 0.11 0.00 57.68 0.68 59 F E E 114.76 9.00 12.93 23.16 121.03 -71.29 -104.87 136.05 5.93 94.07 0.01 5.20 0.50 0.02 0.00 0.00 0.00 94.01 0.27 60 I E E 73.43 7.66 14.54 23.94 123.36 -167.08 -119.81 137.20 1.09 98.91 0.00 0.99 0.03 0.00 0.00 0.00 0.00 98.95 0.03 61 E E E 111.04 8.73 13.77 24.03 119.00 -147.78 -105.04 132.48 0.95 99.05 0.00 0.81 0.04 0.00 0.00 0.00 0.00 99.14 0.01 62 K E E 88.60 7.19 16.73 25.48 131.36 175.19 -136.29 149.05 1.42 98.58 0.00 1.25 0.06 0.00 0.00 0.00 0.00 98.64 0.03 63 E E E 101.68 9.62 16.61 27.00 115.39 -113.20 -78.52 137.61 6.13 93.87 0.01 5.53 0.37 0.02 0.00 0.00 0.00 93.92 0.16 64 A E E 21.44 14.44 17.32 32.64 134.91 168.53 -139.60 155.91 30.67 69.33 0.01 28.52 1.14 0.03 0.00 0.00 0.00 70.12 0.19 65 P E E 59.92 10.62 22.13 32.73 114.22 -101.65 -68.61 144.66 25.32 74.68 0.01 21.74 2.92 0.05 0.00 0.00 0.00 74.72 0.55 66 L E E 12.79 23.01 16.24 39.13 127.55 -167.93 -125.22 144.66 11.02 88.97 0.01 10.22 0.62 0.02 0.00 0.01 0.00 83.87 5.25 67 H E E 62.81 9.13 24.78 34.57 111.47 -119.04 -79.17 130.51 23.28 76.70 0.03 24.22 0.36 0.02 0.01 0.01 0.00 69.20 6.18 68 A H G 16.18 22.20 16.14 38.21 91.54 -133.73 -61.23 -30.05 5.50 0.16 94.34 0.66 0.57 3.24 0.63 94.74 0.00 0.14 0.00 69 S H G 58.95 9.10 22.16 31.93 90.19 66.02 -71.70 -14.94 4.77 0.10 95.13 0.22 0.37 3.44 0.49 95.40 0.00 0.08 0.00 70 K H G 83.32 10.99 22.21 33.85 96.46 54.40 -99.81 1.65 5.61 0.14 94.25 0.47 0.59 3.50 0.44 94.88 0.00 0.11 0.00 71 V E E 6.20 25.34 15.94 41.69 119.24 93.56 -100.86 134.66 45.94 51.34 2.72 33.92 11.29 0.84 1.10 1.44 0.02 40.83 10.57 72 R C C 75.45 12.77 25.99 38.43 123.78 -165.19 -120.87 133.11 50.58 49.37 0.05 49.87 1.08 0.07 0.02 0.02 0.00 47.13 1.81 73 P E E 15.60 21.36 20.63 41.52 114.67 -125.31 -79.49 137.36 48.64 51.32 0.04 38.58 9.66 0.20 0.01 0.04 0.00 50.63 0.88 74 I E B 48.24 12.13 21.21 34.05 120.80 -151.16 -108.55 133.14 9.97 89.99 0.03 9.35 0.43 0.01 0.04 0.01 0.00 35.54 54.62 75 C C C 14.87 16.66 12.82 30.85 109.21 -124.80 -79.67 121.92 90.29 9.69 0.02 91.24 0.58 0.04 0.00 0.01 0.00 6.86 1.26 76 P C T 88.40 4.71 16.51 22.78 92.46 -149.89 -64.71 -26.61 99.69 0.06 0.25 0.38 3.67 95.66 0.01 0.24 0.00 0.03 0.02 77 A C T 79.42 2.77 15.46 19.00 96.43 49.71 -75.52 -38.11 99.64 0.07 0.29 0.11 2.44 97.14 0.00 0.26 0.00 0.03 0.02 78 C C T 62.24 5.97 12.70 20.30 101.49 22.67 -104.44 -16.71 99.68 0.08 0.24 0.36 3.55 95.76 0.00 0.27 0.00 0.04 0.02 79 G C C 51.07 3.69 13.98 19.41 94.74 -126.14 76.79 8.35 99.05 0.77 0.18 71.12 12.30 15.61 0.03 0.17 0.00 0.46 0.31 80 K C C 109.59 4.12 16.97 22.45 121.06 128.82 -91.01 146.88 88.91 11.05 0.05 68.51 21.12 0.26 0.01 0.04 0.00 8.63 1.43 81 P E B 69.22 9.29 17.44 27.43 113.99 -100.69 -65.59 146.27 11.17 88.76 0.08 9.81 0.64 0.04 0.08 0.02 0.00 38.04 51.36 82 T C C 20.20 19.82 14.21 33.66 129.11 -160.43 -120.12 153.25 66.56 33.38 0.06 63.47 2.37 0.11 0.01 0.05 0.00 32.89 1.09 83 R E E 94.74 8.71 23.23 32.38 119.57 -129.07 -105.76 135.58 25.86 74.09 0.05 23.89 1.73 0.10 0.01 0.04 0.00 72.21 2.01 84 V E E 34.61 19.22 15.11 33.80 119.14 -144.04 -103.70 132.44 13.08 86.91 0.01 12.63 0.38 0.02 0.00 0.01 0.00 86.66 0.29 85 R E E 90.87 7.79 20.52 29.10 133.19 176.30 -133.48 156.51 4.16 95.84 0.01 3.52 0.32 0.02 0.00 0.00 0.00 96.08 0.06 86 K E E 99.09 11.49 14.89 26.99 121.11 -131.99 -104.54 137.25 1.69 98.31 0.00 1.51 0.07 0.00 0.00 0.00 0.00 98.39 0.03 87 K E E 84.34 7.54 15.47 24.61 129.83 -176.19 -129.36 150.37 0.95 99.05 0.00 0.81 0.06 0.00 0.00 0.00 0.00 99.11 0.01 88 F E E 121.47 5.29 13.15 20.31 115.48 -124.51 -95.17 127.95 1.49 98.50 0.00 1.44 0.05 0.00 0.00 0.00 0.00 97.57 0.93 89 L C C 50.49 9.26 8.30 19.12 122.94 -145.17 -87.08 167.50 92.77 7.20 0.03 93.38 0.26 0.06 0.00 0.01 0.00 5.82 0.47 90 E C T 168.61 0.75 10.29 11.13 90.96 -97.19 -62.91 -24.69 98.23 0.63 1.14 0.46 2.82 95.02 0.01 1.17 0.00 0.43 0.08 91 N C T 126.37 0.91 10.33 11.12 93.45 55.70 -86.74 1.75 98.77 0.07 1.17 0.18 1.99 96.51 0.01 1.26 0.00 0.03 0.01 92 G C S 49.81 2.79 10.67 15.06 96.50 -102.65 86.53 5.24 98.94 0.22 0.84 12.19 84.27 2.57 0.04 0.74 0.00 0.10 0.10 93 K C C 107.59 3.65 12.46 17.94 118.82 132.98 -81.37 146.41 95.86 4.13 0.01 95.50 0.89 0.04 0.00 0.00 0.00 3.20 0.36 94 K E E 103.57 8.13 13.69 23.33 117.40 -125.89 -89.93 134.43 0.87 99.13 0.00 0.89 0.02 0.00 0.00 0.00 0.00 98.59 0.49 95 I E E 34.02 13.05 16.20 30.80 128.49 -173.77 -126.36 146.32 0.51 99.49 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.51 0.00 96 R E E 62.25 13.71 19.63 33.91 117.09 -133.13 -98.79 129.89 0.34 99.66 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.00 97 V E E 26.32 13.05 20.86 35.08 129.65 -172.34 -127.53 147.85 0.37 99.63 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.51 0.15 98 C E E 9.76 18.25 14.65 34.42 110.40 -113.07 -73.29 129.08 14.90 85.09 0.01 15.38 0.17 0.01 0.00 0.00 0.00 83.70 0.73 99 A C T 53.07 9.08 18.06 28.40 93.26 -147.00 -66.87 -29.05 99.21 0.52 0.27 0.46 4.42 94.48 0.01 0.22 0.00 0.36 0.05 100 K C T 131.62 3.70 17.86 22.39 97.61 46.99 -77.70 -39.02 98.93 0.79 0.29 0.16 2.73 96.29 0.00 0.19 0.00 0.23 0.40 101 C C T 66.75 5.65 15.36 22.20 102.37 20.21 -107.35 -12.31 99.66 0.13 0.21 0.45 3.82 95.44 0.01 0.17 0.00 0.07 0.03 102 G C C 42.24 6.83 15.07 23.34 96.02 -118.26 80.29 6.95 99.48 0.40 0.12 86.55 7.07 5.86 0.03 0.08 0.00 0.26 0.15 103 G C C 27.94 6.92 16.44 25.11 120.23 145.62 -75.12 154.32 94.16 5.80 0.04 89.89 4.26 0.22 0.01 0.03 0.00 4.99 0.59 104 A E E 56.39 9.19 18.76 28.40 114.25 -107.49 -77.54 138.99 3.19 96.77 0.04 2.99 0.15 0.01 0.06 0.01 0.00 52.28 44.50 105 L C C 36.49 18.98 13.37 31.61 104.86 -149.14 -88.47 14.26 57.11 42.65 0.24 52.49 3.43 0.43 0.05 0.21 0.00 42.41 0.98 106 D C C 68.47 8.28 16.71 25.78 116.93 -23.17 -103.51 128.86 78.95 19.43 1.63 71.09 5.31 1.82 0.34 1.38 0.00 18.87 1.18 107 T C C 82.86 8.50 11.75 21.21 101.48 -157.32 -87.87 -1.11 87.79 5.13 7.08 46.14 17.70 23.62 0.92 6.86 0.00 3.83 0.93 108 E C C 138.24 2.48 11.90 15.81 106.85 92.05 -83.05 79.89 90.86 3.16 5.97 66.36 3.99 20.64 0.94 4.91 0.00 2.30 0.86 109 E C C 125.56 4.77 11.82 18.32 108.12 -129.02 -83.50 108.39 99.79 0.12 0.09 99.55 0.17 0.15 0.02 0.03 0.00 0.07 0.01