# 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 V C C 71.18 9.83 12.18 22.97 121.55 -169.37 -111.34 135.72 99.60 0.39 0.01 99.61 0.11 0.03 0.00 0.00 0.00 0.22 0.03 1 N C C 122.22 1.96 14.96 17.62 109.26 -137.15 -91.76 112.85 88.26 11.62 0.12 87.36 1.19 0.53 0.04 0.06 0.00 6.89 3.93 2 V C C 61.81 12.27 8.54 21.11 117.22 -163.43 -98.62 132.23 91.00 8.92 0.08 79.61 11.42 0.31 0.02 0.06 0.00 6.91 1.67 3 P C C 56.90 7.30 12.39 21.64 115.07 -108.33 -65.08 149.66 93.82 5.63 0.54 91.64 1.72 0.92 0.11 0.33 0.00 4.23 1.05 4 K C S 153.13 2.73 13.91 18.14 95.85 -134.58 -73.27 -25.41 93.18 6.11 0.71 17.63 62.73 12.77 0.08 0.68 0.00 5.45 0.66 5 T C E 78.17 4.72 14.93 21.14 129.10 25.65 -132.81 144.39 65.77 33.14 1.09 27.57 26.30 13.62 0.11 1.11 0.00 30.06 1.23 6 R E E 96.09 10.50 12.99 24.61 129.06 -175.42 -136.35 148.02 47.04 52.69 0.27 41.22 4.67 0.45 0.04 0.24 0.00 52.46 0.92 7 R E E 122.79 7.33 16.00 24.59 117.03 -124.42 -90.99 136.64 16.23 83.75 0.02 15.95 0.44 0.03 0.00 0.01 0.00 83.15 0.43 8 T E E 41.59 11.34 14.65 27.36 128.17 -169.28 -125.47 149.43 3.32 96.67 0.00 2.98 0.21 0.01 0.00 0.00 0.00 96.68 0.12 9 F E E 93.30 7.12 15.24 24.10 117.03 -125.92 -96.28 131.91 2.83 97.17 0.01 2.79 0.16 0.01 0.00 0.00 0.00 95.28 1.76 10 C C C 21.92 12.62 9.59 24.04 109.09 -130.98 -85.52 119.21 61.50 38.46 0.04 61.12 0.68 0.07 0.01 0.02 0.00 36.86 1.23 11 K C T 149.90 2.23 13.39 16.96 93.54 -158.34 -68.36 -28.75 99.27 0.15 0.58 0.32 3.66 95.32 0.01 0.56 0.00 0.10 0.03 12 K C T 159.85 0.98 13.16 13.74 97.26 47.81 -75.16 -38.66 99.25 0.06 0.69 0.09 2.08 97.19 0.01 0.58 0.00 0.03 0.01 13 C C T 72.83 3.74 11.38 16.59 101.58 22.62 -105.72 -13.69 99.53 0.05 0.42 0.24 2.24 97.09 0.00 0.39 0.00 0.02 0.01 14 G C C 46.97 3.83 12.14 17.75 95.97 -122.77 78.42 6.48 98.96 0.85 0.19 62.35 5.76 30.83 0.03 0.18 0.00 0.64 0.21 15 K C C 114.24 3.00 15.54 19.65 121.09 128.44 -89.37 149.64 76.07 23.91 0.02 72.26 3.00 0.14 0.00 0.02 0.00 24.04 0.55 16 H E E 87.80 12.62 11.94 24.90 116.09 -113.76 -83.85 137.07 1.72 98.28 0.00 1.68 0.08 0.00 0.00 0.00 0.00 96.66 1.58 17 Q E E 71.12 7.79 17.22 26.50 128.12 -176.05 -133.15 144.25 5.10 94.89 0.00 4.71 0.24 0.01 0.00 0.00 0.00 94.96 0.08 18 P E E 74.73 8.00 17.04 25.98 114.76 -105.71 -67.08 144.93 13.26 86.72 0.02 12.12 0.83 0.05 0.00 0.01 0.00 86.55 0.42 19 H E E 44.10 16.18 12.91 29.27 128.85 -171.17 -126.96 151.29 42.94 56.95 0.11 38.06 3.86 0.23 0.03 0.07 0.00 57.11 0.63 20 K E E 127.93 3.88 20.95 25.52 117.35 -124.07 -96.15 136.28 31.55 68.36 0.08 28.77 2.08 0.14 0.03 0.06 0.00 67.10 1.81 21 V E E 39.20 18.40 10.97 28.71 115.49 -134.81 -90.80 131.99 30.71 69.13 0.17 29.46 0.93 0.10 0.08 0.08 0.00 65.54 3.80 22 T E E 70.34 5.44 18.46 24.62 109.03 -169.58 -99.95 -8.59 44.67 54.91 0.42 31.88 11.90 0.91 0.11 0.33 0.00 53.80 1.06 23 Q E E 106.81 5.83 16.68 23.65 120.41 -71.14 -112.14 136.15 34.97 64.45 0.58 28.05 5.98 0.98 0.17 0.44 0.00 61.70 2.68 24 Y E E 81.91 14.15 10.19 24.26 122.22 -159.25 -112.05 138.95 41.68 57.78 0.54 38.14 2.29 0.42 0.31 0.29 0.00 51.45 7.11 25 K C C 116.48 4.32 14.20 19.84 116.55 -125.65 -87.09 144.87 76.29 22.23 1.48 58.33 13.58 4.17 0.43 1.20 0.00 19.33 2.96 26 K C T 148.81 3.24 12.19 17.20 109.10 -101.20 -69.22 136.30 87.95 7.02 5.04 15.53 25.19 47.66 0.90 4.05 0.02 5.03 1.63 27 G C T 53.58 3.51 12.70 17.08 106.14 27.94 82.21 -6.43 92.09 2.87 5.04 21.95 24.67 45.63 0.71 4.39 0.00 1.71 0.93 28 K C C 112.55 6.12 11.26 18.84 112.14 107.07 -90.64 129.09 85.89 5.96 8.15 43.54 25.42 17.27 1.79 6.29 0.01 2.99 2.68 29 D C C 104.68 4.01 14.00 19.22 103.99 -74.93 -87.98 18.41 87.20 5.31 7.50 49.53 21.43 16.48 2.07 5.33 0.00 2.85 2.31 30 S C C 36.11 9.12 12.70 23.52 127.03 113.18 -112.25 157.85 78.58 8.81 12.61 49.36 22.42 6.30 8.12 4.60 0.02 3.70 5.49 31 L C T 88.41 8.40 15.30 24.81 93.07 -111.47 -64.58 -28.82 51.91 2.75 45.34 8.89 10.77 31.01 25.67 20.15 0.44 1.58 1.48 32 Y C T 109.87 9.12 15.80 25.67 95.11 58.32 -78.05 -19.12 49.88 4.25 45.87 9.08 9.00 30.15 25.99 20.76 0.58 2.78 1.67 33 A C H 38.11 10.38 14.19 25.78 99.31 63.78 -78.24 -11.97 47.17 7.14 45.69 17.92 11.09 19.08 25.86 18.74 0.40 4.39 2.53 34 Q C T 94.37 7.61 15.58 24.03 105.64 67.46 -88.16 46.15 60.08 7.01 32.91 21.07 13.93 26.04 23.92 8.04 0.31 4.06 2.65 35 G C C 31.46 9.55 13.83 24.22 118.96 -138.01 89.06 173.06 69.56 8.01 22.43 31.24 16.21 22.87 14.62 7.45 0.16 5.03 2.41 36 K C C 128.47 5.22 15.09 21.44 111.00 -96.57 -90.90 119.71 57.44 12.95 29.60 33.89 12.55 11.13 19.31 10.61 0.14 9.44 2.94 37 R C C 126.85 7.50 12.81 21.49 115.90 -140.12 -95.17 132.39 48.18 20.16 31.67 28.61 10.31 9.84 19.91 11.77 0.19 16.14 3.23 38 R C C 128.96 6.78 13.75 21.82 113.31 -152.18 -95.79 127.32 44.20 25.76 30.04 26.81 8.89 9.26 19.26 11.10 0.18 20.94 3.58 39 Y C C 98.11 9.85 10.87 21.82 119.05 -156.02 -107.23 135.29 46.45 26.98 26.57 28.80 10.46 7.61 19.39 7.75 0.18 21.17 4.65 40 D C C 81.12 5.34 12.74 19.66 113.40 -153.48 -98.04 127.68 59.60 18.85 21.55 41.69 9.69 7.65 16.30 6.19 0.06 15.81 2.62 41 R C C 149.33 5.22 11.14 17.97 102.01 -142.10 -80.11 9.15 58.06 15.98 25.96 32.98 12.60 13.10 16.25 9.88 0.15 12.32 2.73 42 K C C 144.09 2.30 11.84 15.29 103.54 101.67 -83.31 3.65 58.08 18.09 23.83 34.05 12.26 12.24 14.23 9.91 0.19 13.37 3.76 43 Q C C 108.49 5.05 9.40 16.07 107.81 94.46 -87.98 95.94 63.55 19.16 17.29 42.09 11.60 9.12 10.77 7.06 0.17 12.08 7.10 44 S C C 74.51 4.17 9.98 15.68 109.79 121.95 -92.84 105.05 78.40 11.04 10.56 47.37 15.23 16.04 5.09 5.19 0.03 6.82 4.22 45 G C T 53.43 2.50 10.53 14.33 111.42 -4.39 79.18 -9.33 85.31 4.24 10.45 23.03 28.91 34.32 2.39 7.23 0.02 2.42 1.68 46 Y C T 167.38 2.69 9.24 13.29 106.83 4.04 -94.61 78.91 82.54 4.58 12.87 16.25 23.87 42.90 2.46 9.69 0.03 2.51 2.29 47 G C T 58.74 1.77 11.10 13.64 105.08 -16.41 73.04 2.36 86.13 3.76 10.12 17.85 25.51 42.86 1.47 8.55 0.01 2.23 1.51 48 G C C 49.58 3.93 10.34 15.87 108.05 -57.90 74.49 18.88 86.79 6.69 6.52 37.55 28.26 21.23 0.95 5.87 0.00 3.97 2.16 49 Q C C 113.91 4.47 10.70 16.72 114.75 68.78 -87.43 134.50 81.76 14.95 3.29 56.78 18.93 5.59 0.98 2.56 0.00 9.17 5.99 50 T C C 91.43 4.90 11.14 17.61 108.26 -132.20 -93.69 65.33 78.67 19.88 1.45 59.22 15.96 2.78 0.53 1.09 0.00 13.78 6.64 51 K C C 122.66 4.56 12.31 18.48 119.36 -141.95 -102.83 135.87 80.66 19.04 0.30 65.00 15.24 0.68 0.14 0.21 0.00 16.20 2.52 52 P C C 77.91 6.85 11.49 19.99 113.92 -108.99 -67.28 145.75 71.50 27.66 0.85 66.95 3.26 0.86 0.46 0.44 0.00 20.59 7.43 53 I C C 100.28 6.68 11.29 19.38 111.19 -140.41 -91.59 123.66 78.00 18.45 3.55 48.27 27.06 3.25 2.42 1.38 0.01 14.44 3.16 54 F C C 117.92 6.32 11.00 18.81 121.41 -136.46 -110.69 138.35 66.24 29.15 4.61 46.27 17.28 2.91 3.17 1.76 0.02 21.79 6.79 55 R C C 148.31 4.94 11.14 17.94 117.87 -158.25 -105.27 134.05 72.31 21.76 5.93 61.86 7.13 2.62 4.01 2.22 0.01 17.99 4.17 56 K C C 130.20 4.81 11.12 17.61 116.23 -139.09 -95.13 142.09 73.88 13.32 12.80 51.29 15.34 7.21 7.95 5.02 0.02 9.85 3.35 57 K C C 136.44 4.34 11.95 17.99 112.63 -124.70 -85.86 137.37 73.68 9.40 16.92 47.58 17.03 9.36 9.45 7.48 0.03 6.15 2.93 58 A C C 59.53 8.01 10.01 19.33 113.40 -122.58 -79.93 143.51 72.96 6.76 20.28 51.51 12.63 8.99 9.91 10.34 0.01 4.36 2.25 59 K C C 135.09 4.18 12.74 18.44 110.14 -134.95 -86.78 121.83 73.53 7.61 18.86 49.82 13.77 10.08 9.18 9.63 0.02 4.77 2.74 60 T C C 82.75 6.60 12.10 19.96 110.94 -155.29 -94.13 118.53 75.50 8.61 15.89 46.40 16.91 12.60 7.31 8.36 0.04 5.29 3.08 61 T C C 78.41 6.84 13.03 20.96 109.44 107.84 -97.58 81.30 81.29 8.52 10.19 48.56 20.70 12.56 4.46 5.51 0.02 5.52 2.66 62 K C C 112.71 7.31 15.09 23.44 110.31 82.86 -90.65 111.73 85.74 10.41 3.85 46.84 32.86 6.91 1.25 2.44 0.01 8.03 1.66 63 K C C 90.38 10.26 17.17 27.88 120.12 -123.36 -105.65 139.44 70.93 28.21 0.86 48.76 19.33 2.45 0.19 0.66 0.00 27.46 1.16 64 I E E 32.04 16.60 16.60 33.69 119.25 -143.28 -106.22 131.65 18.98 80.95 0.07 17.82 0.98 0.09 0.02 0.05 0.00 80.22 0.82 65 V E E 31.12 12.72 21.10 35.00 120.24 -160.88 -110.71 131.69 6.17 93.82 0.01 5.79 0.26 0.01 0.00 0.00 0.00 93.77 0.16 66 L E E 19.67 19.41 18.48 38.28 119.37 -158.06 -105.95 130.09 2.14 97.86 0.00 1.93 0.10 0.00 0.00 0.00 0.00 97.93 0.03 67 R E E 71.50 11.59 23.36 35.33 119.29 -163.91 -111.49 129.77 1.00 99.00 0.00 0.89 0.04 0.00 0.00 0.00 0.00 99.05 0.01 68 L E E 16.54 21.10 17.47 38.87 120.27 -155.17 -106.27 132.48 0.88 99.12 0.00 0.77 0.04 0.00 0.00 0.00 0.00 99.18 0.01 69 E E E 62.59 9.52 23.28 33.44 124.10 -165.24 -116.09 137.66 1.46 98.53 0.01 1.27 0.12 0.01 0.00 0.00 0.00 98.54 0.05 70 C E E 19.43 17.57 13.04 31.38 113.27 -119.22 -77.33 131.41 15.00 84.95 0.05 13.46 1.03 0.10 0.01 0.04 0.00 84.87 0.50 71 V C S 74.83 6.51 18.00 25.80 97.65 -161.32 -87.64 -20.91 80.32 19.59 0.09 19.84 57.29 1.98 0.01 0.11 0.00 20.39 0.38 72 E C S 87.63 5.56 13.19 20.61 121.06 68.69 -105.60 137.65 82.16 17.40 0.45 9.26 65.25 7.82 0.05 0.40 0.00 15.89 1.31 73 P C T 98.60 3.48 12.81 17.65 106.08 -100.71 -62.05 135.58 96.94 0.50 2.56 2.80 12.40 81.55 0.27 2.50 0.00 0.34 0.15 74 N C T 131.32 1.24 14.53 15.31 95.38 17.97 53.26 12.82 96.17 0.94 2.88 4.05 11.51 80.37 0.40 2.76 0.00 0.71 0.21 75 C C C 45.67 12.40 8.36 20.87 114.96 103.67 -97.12 117.49 76.57 19.44 3.99 49.03 17.06 10.33 1.09 3.49 0.01 13.81 5.19 76 R C C 165.71 2.75 14.44 18.32 100.29 140.47 -98.31 -4.07 76.24 21.47 2.29 58.53 13.53 3.48 1.35 1.12 0.00 20.05 1.94 77 S C C 56.68 5.47 14.53 21.48 124.10 93.53 -101.60 148.32 61.79 34.29 3.92 50.14 8.60 2.24 2.80 1.19 0.00 33.65 1.38 78 K E E 108.56 10.83 13.11 24.55 122.24 -148.85 -110.76 139.25 40.87 54.13 5.00 31.61 7.49 1.36 3.91 0.90 0.00 53.99 0.74 79 R E E 107.78 8.11 16.80 26.17 127.49 -168.98 -127.10 142.67 12.94 82.45 4.60 10.77 1.29 0.58 3.95 0.65 0.00 82.09 0.66 80 M E E 86.80 11.85 15.49 27.73 118.13 -135.94 -98.32 133.01 10.96 84.53 4.50 9.78 0.67 0.34 4.04 0.51 0.00 83.65 1.01 81 L E E 48.61 13.56 15.41 29.73 121.65 -160.56 -108.06 136.97 30.75 64.67 4.58 27.52 1.81 0.50 3.89 0.56 0.00 65.16 0.56 82 A E E 53.19 7.88 19.29 27.96 117.12 -132.01 -89.99 138.32 44.35 50.87 4.79 37.10 4.97 1.01 3.86 0.69 0.00 51.73 0.64 83 I C C 41.96 17.75 12.64 30.25 120.72 -160.38 -109.30 133.65 50.90 42.97 6.13 44.91 4.16 1.25 4.65 1.18 0.00 42.35 1.49 84 K C E 119.01 5.13 19.29 25.26 120.13 -154.84 -103.24 142.45 52.69 41.10 6.21 38.60 11.78 2.49 4.47 1.53 0.01 39.85 1.27 85 R C E 126.60 8.32 16.37 25.35 114.67 -96.54 -77.82 135.22 46.52 46.36 7.12 33.54 10.47 3.34 4.76 2.36 0.02 41.39 4.13 86 C C C 34.12 15.65 10.59 26.15 123.23 -161.83 -112.96 144.19 48.15 45.66 6.19 41.42 4.41 1.99 3.80 2.52 0.01 41.26 4.59 87 K C S 142.26 3.08 16.95 20.70 98.71 -155.80 -84.49 -27.23 62.76 31.88 5.37 17.30 35.67 10.74 2.39 2.62 0.04 29.93 1.31 88 H C E 108.93 4.67 17.81 23.39 128.61 17.83 -136.35 142.87 51.79 43.48 4.73 23.31 21.02 8.69 2.08 2.47 0.01 41.45 0.97 89 F E E 68.56 16.69 11.15 27.16 125.24 -171.32 -125.44 135.39 46.44 48.57 4.99 40.87 3.95 1.58 2.98 2.29 0.01 45.45 2.87 90 E C C 102.55 5.30 17.48 23.91 118.18 -155.99 -109.98 125.65 49.21 47.64 3.15 44.42 2.82 1.39 2.29 1.28 0.00 43.70 4.09 91 L C C 84.00 10.61 12.26 23.52 113.29 -149.22 -88.18 131.77 62.26 33.23 4.51 31.11 13.20 19.73 2.16 2.51 0.02 28.98 2.29 92 G C T 47.19 4.16 14.43 19.58 109.02 16.63 93.88 -15.00 81.19 13.74 5.07 25.87 27.17 28.96 2.07 2.88 0.02 11.48 1.55 93 G C S 42.18 5.09 12.50 18.92 116.49 19.32 98.51 -168.82 81.44 6.98 11.58 27.82 36.81 17.54 4.90 6.10 0.04 5.03 1.77 94 D C C 95.20 4.38 12.01 17.74 106.43 -32.89 -84.21 95.32 70.61 8.04 21.35 38.46 18.15 14.83 9.27 11.62 0.03 5.48 2.16 95 K C C 127.66 5.42 10.64 17.59 101.00 102.56 -78.41 -7.69 61.69 9.33 28.97 34.73 14.75 13.06 13.29 15.25 0.06 6.58 2.28 96 K C C 142.24 2.78 11.93 16.00 101.22 89.99 -79.16 -13.27 61.51 9.76 28.73 37.85 12.83 11.43 13.67 14.80 0.05 7.07 2.30 97 R C C 141.50 4.88 10.14 16.49 103.76 68.44 -90.15 35.44 67.51 8.22 24.27 46.22 11.43 9.85 11.96 12.53 0.02 5.59 2.42 98 K C T 140.75 3.73 10.38 15.77 108.25 128.15 -81.09 114.41 73.33 5.83 20.84 25.02 12.01 36.72 10.24 10.09 0.06 3.90 1.95 99 G C T 50.26 4.19 11.14 16.72 108.50 20.30 81.89 1.41 79.10 4.38 16.51 22.75 15.54 41.66 5.74 10.01 0.02 3.13 1.15 100 Q C C 119.42 4.09 10.88 16.53 112.65 108.69 -89.54 130.68 75.57 12.19 12.24 50.50 15.14 10.17 4.23 8.09 0.01 9.51 2.34 101 V C C 99.38 5.22 9.66 16.46 114.55 -145.57 -96.72 131.60 67.79 26.13 6.09 48.78 13.61 5.47 2.99 3.24 0.06 21.43 4.41 102 I C C 100.64 6.41 8.54 16.44 116.14 -148.08 -100.01 129.32 65.99 29.70 4.32 53.05 7.88 4.27 2.02 2.27 0.01 27.54 2.97 103 Q C C 135.88 2.23 10.63 14.60 114.62 -152.27 -97.56 130.45 71.34 26.25 2.41 65.74 1.86 2.86 1.25 1.03 0.00 23.24 4.03 104 F C C 126.89 6.92 10.69 18.81 115.03 -160.32 -103.48 127.62 99.39 0.60 0.01 99.37 0.11 0.04 0.01 0.00 0.00 0.44 0.03