# 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 T C C 76.63 7.90 17.49 26.05 111.68 -170.03 -101.03 118.96 99.09 0.91 0.00 99.01 0.16 0.01 0.00 0.00 0.00 0.80 0.02 1 F E E 103.76 10.42 16.39 27.36 127.99 -148.59 -124.55 142.62 18.76 81.23 0.01 18.50 0.31 0.02 0.00 0.01 0.00 80.76 0.40 2 V E E 27.43 17.10 15.30 32.73 125.09 -166.54 -122.52 136.96 2.07 97.93 0.00 1.99 0.05 0.00 0.00 0.00 0.00 97.92 0.03 3 S E E 58.10 8.69 22.58 31.81 121.95 -154.48 -110.30 136.71 0.64 99.36 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.35 0.01 4 V E E 14.71 20.77 14.65 35.34 129.93 -176.39 -133.26 144.55 2.09 97.91 0.00 2.10 0.05 0.00 0.00 0.00 0.00 97.47 0.38 5 A C C 42.58 6.66 22.37 29.39 119.28 -119.75 -79.42 153.76 90.60 9.38 0.01 90.65 0.41 0.03 0.00 0.01 0.00 8.54 0.35 6 P C T 63.27 12.96 14.55 27.86 110.01 -80.85 -58.97 136.06 99.66 0.20 0.14 0.10 1.43 98.27 0.00 0.09 0.00 0.09 0.02 7 G C T 51.16 3.10 19.21 22.98 95.27 21.96 87.36 -5.48 99.77 0.11 0.11 0.15 1.49 98.21 0.00 0.09 0.00 0.06 0.01 8 Q C C 79.30 8.01 18.13 27.25 128.94 106.69 -106.48 157.09 92.97 6.97 0.06 78.16 14.77 0.18 0.00 0.06 0.00 6.32 0.51 9 T E E 67.00 10.93 18.74 30.25 126.53 -135.93 -115.23 146.59 40.30 59.69 0.00 41.73 0.27 0.01 0.00 0.00 0.00 57.32 0.66 10 A E E 9.40 22.22 16.07 38.27 127.66 -161.08 -122.65 144.84 0.45 99.55 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.52 0.03 11 R E E 118.97 7.97 24.72 33.54 121.16 -151.98 -116.15 131.33 0.23 99.77 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 12 I E E 6.54 25.36 16.65 42.63 120.72 -167.53 -115.56 129.98 2.29 97.70 0.00 2.17 0.05 0.00 0.00 0.00 0.00 97.75 0.03 13 T E E 60.48 8.11 26.54 35.33 118.99 -152.37 -98.43 133.60 18.19 81.78 0.02 16.74 0.61 0.05 0.00 0.01 0.00 82.39 0.19 14 C E E 9.21 24.71 15.55 39.91 118.28 -167.94 -112.86 139.14 33.64 66.26 0.10 31.43 1.28 0.17 0.03 0.06 0.00 65.71 1.32 15 G E E 28.01 9.72 23.91 33.62 116.61 -157.53 -99.39 63.68 42.86 56.86 0.28 36.12 5.15 0.69 0.12 0.22 0.00 53.54 4.17 16 E C C 70.34 14.95 16.49 30.86 122.38 88.37 -115.63 147.18 63.57 34.85 1.58 47.77 12.38 3.32 0.37 1.51 0.00 30.36 4.29 17 E C C 117.94 5.87 18.74 25.51 111.40 -132.98 -97.89 112.74 81.03 16.01 2.96 37.32 30.31 14.35 0.39 2.81 0.00 12.81 2.01 18 S C C 65.05 7.17 17.95 25.85 104.73 -15.66 -92.40 85.42 87.44 9.23 3.33 49.39 22.26 15.96 0.47 3.25 0.00 6.83 1.84 19 L C C 56.00 16.32 13.21 28.90 101.43 171.59 -85.86 -0.56 85.92 9.81 4.27 49.27 15.89 20.87 0.75 3.86 0.00 6.52 2.84 20 G C C 44.97 5.54 19.42 25.48 102.02 -115.19 80.58 -1.14 89.24 7.30 3.46 32.05 28.19 29.47 0.41 3.30 0.00 4.85 1.72 21 S C C 47.52 11.06 16.39 27.87 122.49 76.62 -104.56 144.30 87.50 8.94 3.56 42.98 30.42 14.47 0.42 3.59 0.00 6.12 2.01 22 R C S 119.89 10.85 18.77 29.58 100.39 -143.95 -88.78 -9.32 86.66 12.01 1.33 31.40 49.24 6.11 0.14 1.21 0.00 10.82 1.07 23 S E E 32.96 11.64 23.45 35.46 127.33 50.91 -124.08 144.63 48.16 50.87 0.98 37.98 7.50 1.97 0.12 0.91 0.00 50.77 0.75 24 V E E 4.02 25.68 17.93 44.21 126.23 -165.68 -122.30 137.51 8.37 91.60 0.02 7.63 0.48 0.03 0.01 0.01 0.00 91.63 0.22 25 I E E 31.12 14.10 27.42 41.95 123.88 -162.54 -117.79 137.26 1.33 98.67 0.00 1.22 0.04 0.00 0.00 0.00 0.00 98.71 0.02 26 W E E 8.23 24.88 21.18 46.15 123.32 -156.98 -112.44 138.24 0.49 99.51 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.53 0.01 27 Y E E 29.60 15.79 24.51 40.43 133.89 -176.01 -133.69 151.98 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.01 28 Q E E 34.43 16.64 20.84 37.39 125.28 -153.17 -117.40 139.62 1.41 98.58 0.00 1.18 0.09 0.01 0.00 0.00 0.00 98.69 0.04 29 Q E E 55.01 13.24 16.66 30.54 121.53 -155.66 -111.18 136.80 23.12 76.87 0.01 21.43 1.00 0.04 0.00 0.01 0.00 76.69 0.83 30 R C C 109.38 6.69 15.43 23.42 118.34 -131.32 -85.88 149.01 98.23 1.74 0.02 96.54 1.82 0.15 0.01 0.01 0.00 1.21 0.27 31 P C T 102.00 4.25 11.43 17.65 109.78 -86.21 -58.75 134.40 99.63 0.09 0.28 0.22 2.62 96.83 0.01 0.26 0.00 0.05 0.02 32 G C T 69.33 0.26 13.08 10.50 95.19 17.90 83.07 -2.89 99.62 0.06 0.32 0.30 2.51 96.81 0.00 0.32 0.00 0.04 0.01 33 Q C S 86.15 5.93 9.80 17.79 128.81 98.06 -112.33 158.81 93.49 6.10 0.41 42.76 49.36 1.29 0.07 0.38 0.00 2.02 4.12 34 A C C 74.82 2.46 17.68 20.22 116.87 -98.72 -68.32 149.05 97.08 2.90 0.02 86.47 10.74 0.12 0.00 0.02 0.00 2.31 0.33 35 P C C 48.55 17.01 12.56 29.02 115.03 -100.00 -65.37 144.61 90.99 9.00 0.01 88.76 2.10 0.07 0.00 0.01 0.00 8.81 0.25 36 S E E 35.92 11.41 20.59 32.70 127.26 -162.25 -125.80 141.45 3.62 96.37 0.01 3.29 0.22 0.01 0.00 0.00 0.00 96.07 0.40 37 L E E 54.90 16.06 19.55 35.19 111.02 -115.21 -75.46 125.62 0.56 99.44 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.44 0.02 38 I E E 20.05 19.34 21.52 40.63 101.89 175.64 -98.59 -31.97 1.70 98.29 0.01 1.34 0.24 0.01 0.00 0.00 0.00 98.39 0.02 39 I E E 17.85 19.58 21.93 41.14 134.06 6.57 -144.38 141.16 0.97 99.02 0.00 0.88 0.05 0.00 0.00 0.00 0.00 99.00 0.06 40 Y E E 49.61 17.61 20.62 37.51 125.88 -171.89 -128.66 134.41 10.36 89.53 0.10 9.00 0.92 0.15 0.03 0.05 0.00 89.35 0.49 41 N C C 50.81 12.75 20.32 33.18 109.12 -167.55 -107.81 70.26 63.43 35.26 1.31 35.87 20.69 7.82 0.21 1.14 0.00 33.05 1.22 42 N C C 61.85 12.44 16.71 29.20 108.66 86.70 -98.11 79.35 84.33 12.64 3.03 33.80 30.37 21.30 0.38 2.80 0.01 9.34 2.00 43 N C S 99.96 6.50 17.30 24.52 99.41 62.74 -88.95 -4.30 93.07 3.89 3.04 20.57 39.71 32.89 0.32 2.99 0.00 2.38 1.14 44 D C S 96.90 4.53 17.83 23.19 109.32 55.00 -94.79 73.59 93.41 4.44 2.15 27.30 43.47 22.59 0.24 2.25 0.00 2.61 1.53 45 R C C 99.48 12.99 13.69 26.61 118.76 103.77 -93.76 135.18 92.91 6.77 0.32 58.19 34.17 1.10 0.09 0.25 0.00 3.34 2.87 46 P C C 47.44 13.10 12.86 26.56 112.95 -109.39 -67.95 149.21 94.43 4.31 1.27 86.61 3.46 4.11 0.23 1.17 0.00 2.40 2.02 47 S C T 87.97 2.62 15.95 19.77 110.08 -100.10 -69.09 137.90 96.88 1.72 1.40 8.37 11.27 76.92 0.15 1.51 0.00 1.10 0.68 48 G C T 57.21 2.34 17.51 20.08 98.43 23.32 84.27 -1.48 97.37 1.41 1.22 9.34 12.64 75.05 0.10 1.42 0.00 1.04 0.40 49 I C C 27.98 21.00 8.78 28.42 117.00 115.91 -87.29 133.95 96.23 3.57 0.20 52.52 43.59 0.34 0.07 0.10 0.00 1.03 2.35 50 P C C 52.74 7.18 17.07 25.83 114.11 -107.26 -65.74 148.74 97.19 1.71 1.11 95.44 1.45 0.67 0.28 0.56 0.00 0.71 0.88 51 D H G 109.71 4.36 16.28 22.51 93.08 -110.87 -60.57 -29.18 24.75 0.48 74.76 3.05 3.40 17.02 3.47 72.64 0.00 0.33 0.09 52 R H G 120.57 8.55 18.98 28.09 91.89 65.03 -72.31 -13.14 21.85 1.23 76.92 2.50 3.03 16.08 4.06 73.18 0.00 1.00 0.14 53 F H G 30.52 20.47 15.27 35.06 100.29 56.76 -97.21 3.12 23.64 4.08 72.28 7.30 6.35 12.35 4.80 65.42 0.01 2.93 0.84 54 S C C 37.11 14.40 18.49 32.77 119.02 102.29 -97.09 143.05 75.64 16.51 7.85 46.96 20.87 7.33 3.67 4.06 0.08 7.31 9.72 55 G C C 31.07 12.48 18.01 30.12 120.77 122.14 -115.37 155.70 89.55 9.02 1.43 49.58 32.47 7.79 0.38 1.17 0.00 5.22 3.38 56 S C C 63.42 6.36 19.23 26.41 121.87 -69.66 -103.43 147.03 92.84 5.88 1.28 50.84 36.65 5.43 0.31 1.02 0.00 2.77 2.97 57 P C T 91.19 7.01 16.36 24.52 110.39 -84.02 -64.52 138.81 92.21 3.42 4.36 15.29 17.44 59.14 0.56 4.13 0.00 2.28 1.16 58 G C T 47.50 5.63 18.32 24.69 100.35 21.33 86.85 -3.65 92.59 3.60 3.82 20.39 16.56 55.50 0.46 3.65 0.00 2.54 0.90 59 S C C 33.29 14.86 13.81 28.83 117.00 131.03 -84.69 140.65 85.77 10.38 3.85 65.49 13.37 5.91 0.77 3.73 0.00 6.72 4.01 60 T C C 72.63 9.84 19.34 29.50 110.56 -161.07 -101.80 56.58 75.79 20.18 4.04 48.65 17.24 10.01 0.94 3.43 0.01 13.35 6.35 61 F C C 89.12 12.02 19.55 31.35 108.75 116.88 -103.33 79.24 65.18 30.53 4.29 27.60 22.51 17.22 1.12 3.36 0.11 16.31 11.77 62 G C T 26.95 11.79 20.88 32.27 110.39 -83.02 78.33 -126.47 93.66 4.02 2.32 10.46 37.47 46.04 0.25 2.08 0.00 2.74 0.96 63 T C S 50.81 14.84 19.72 33.97 100.54 -5.18 -98.76 5.32 92.60 5.81 1.59 12.09 42.73 38.11 0.15 1.48 0.00 4.63 0.81 64 T E E 41.35 12.05 23.38 36.24 125.23 76.64 -113.67 142.74 38.18 61.51 0.31 26.30 11.43 1.62 0.08 0.31 0.00 54.19 6.07 65 A E E 3.61 25.09 17.99 43.56 123.52 -158.55 -118.70 137.81 18.22 81.73 0.04 16.51 1.19 0.10 0.01 0.03 0.00 80.33 1.81 66 T E E 42.08 11.33 27.28 39.27 121.51 -159.00 -115.52 132.34 11.73 88.27 0.01 10.82 0.52 0.02 0.00 0.00 0.00 88.21 0.43 67 L E E 3.77 26.10 18.50 45.44 119.95 -166.07 -115.28 128.74 2.72 97.28 0.00 2.63 0.05 0.00 0.00 0.00 0.00 97.27 0.05 68 T E E 49.29 9.28 27.07 37.02 118.69 -161.48 -111.68 127.49 0.61 99.39 0.00 0.64 0.01 0.00 0.00 0.00 0.00 99.27 0.08 69 I E E 8.30 24.33 16.09 40.94 116.83 -165.88 -112.38 122.23 2.54 97.46 0.00 2.72 0.03 0.00 0.00 0.00 0.00 96.45 0.80 70 T C E 61.39 7.00 23.62 30.85 125.47 -167.06 -117.09 152.43 57.81 42.15 0.04 31.43 23.35 2.93 0.00 0.06 0.00 41.91 0.32 71 S C S 64.55 5.17 24.21 29.71 94.38 12.96 58.53 48.12 82.72 17.25 0.03 8.22 68.87 4.52 0.00 0.04 0.00 18.18 0.17 72 V C C 10.70 24.98 10.88 35.34 118.80 166.46 -91.83 138.95 79.90 20.07 0.02 81.16 0.74 0.02 0.01 0.01 0.00 14.56 3.51 73 E C C 101.36 4.01 24.31 28.07 124.30 -148.65 -104.41 155.55 82.61 17.28 0.11 83.35 0.59 0.06 0.05 0.03 0.00 7.80 8.11 74 A C T 59.99 11.44 15.54 27.21 108.81 -90.16 -59.44 134.59 99.37 0.36 0.27 0.14 1.42 98.04 0.01 0.16 0.00 0.17 0.06 75 G C T 46.28 3.89 20.49 24.76 96.83 26.46 89.73 -4.45 99.69 0.17 0.14 0.29 1.57 97.87 0.01 0.13 0.00 0.12 0.01 76 D C C 31.96 15.90 14.80 31.35 116.70 132.78 -71.31 144.13 97.81 2.16 0.03 95.70 2.21 0.07 0.00 0.02 0.00 1.80 0.19 77 E E E 96.64 8.79 23.22 32.47 120.03 -140.07 -99.41 137.99 29.23 70.64 0.13 28.90 0.87 0.14 0.06 0.08 0.00 62.65 7.30 78 A E E 8.13 21.68 18.37 39.76 138.76 165.17 -146.31 170.02 14.74 85.22 0.04 12.71 1.46 0.14 0.00 0.03 0.00 85.38 0.28 79 D E E 43.79 11.11 26.31 38.18 116.96 -116.70 -97.49 133.46 3.76 96.23 0.01 3.38 0.22 0.01 0.00 0.01 0.00 96.31 0.07 80 Y E E 5.08 26.34 19.35 46.17 125.39 -167.51 -117.91 139.98 1.70 98.30 0.00 1.55 0.10 0.01 0.00 0.00 0.00 98.27 0.07 81 Y E E 35.36 15.64 28.05 43.82 130.83 -172.95 -130.51 148.15 1.91 98.09 0.00 1.67 0.13 0.01 0.00 0.00 0.00 98.13 0.07 82 C E E 1.95 26.61 21.84 48.95 123.83 -158.50 -118.74 137.47 2.40 97.60 0.01 2.04 0.15 0.01 0.00 0.00 0.00 97.77 0.03 83 H E E 30.39 15.82 27.80 43.60 128.34 -171.23 -126.09 140.67 0.99 99.01 0.00 0.86 0.04 0.00 0.00 0.00 0.00 99.08 0.01 84 I E E 7.38 23.78 21.49 45.25 122.29 -160.68 -115.34 132.92 1.00 99.00 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.03 0.04 85 W E E 52.26 13.53 22.74 36.72 124.67 -165.50 -114.49 140.83 5.81 94.17 0.02 5.11 0.41 0.04 0.01 0.01 0.00 94.04 0.39 86 D C E 27.38 14.32 16.60 32.04 112.21 -151.72 -103.83 116.14 50.30 49.62 0.07 45.05 3.38 0.32 0.01 0.07 0.00 50.53 0.64 87 S C S 59.35 8.43 15.50 25.27 96.18 -158.30 -77.68 -11.60 95.35 4.00 0.65 14.19 46.10 34.95 0.04 0.75 0.00 3.60 0.37 88 R C S 164.04 2.25 15.51 18.00 98.06 59.56 -86.52 -15.39 97.52 1.81 0.67 7.44 54.48 35.67 0.04 0.75 0.00 1.31 0.31 89 R C S 110.06 6.10 10.75 18.73 119.26 50.22 -118.42 129.12 90.11 8.90 0.99 25.36 57.84 7.15 0.15 0.96 0.00 6.04 2.51 90 P C T 106.28 2.84 12.93 17.14 96.31 -135.58 -66.77 -21.35 92.86 4.32 2.82 12.29 30.83 49.51 0.16 3.14 0.00 3.51 0.56 91 T C T 88.30 4.81 14.49 20.49 102.88 52.88 -91.03 27.75 88.52 8.28 3.20 18.36 28.38 41.70 0.20 3.41 0.00 7.20 0.74 92 N C C 57.43 11.80 15.06 27.64 112.94 120.61 -91.55 123.48 77.15 21.21 1.64 60.20 11.74 3.85 0.18 1.89 0.00 21.19 0.96 93 W E E 73.93 15.71 17.76 33.23 122.47 -139.33 -109.71 137.04 27.92 71.95 0.13 25.13 1.97 0.29 0.03 0.09 0.00 71.65 0.85 94 V E E 34.98 16.30 21.00 37.20 121.93 -159.52 -115.09 132.76 3.33 96.64 0.03 3.05 0.22 0.04 0.02 0.01 0.00 95.45 1.21 95 F E E 48.82 18.32 20.39 37.75 119.96 -148.11 -100.60 139.30 11.94 87.93 0.13 10.29 1.24 0.32 0.05 0.07 0.00 87.11 0.91 96 G C C 16.08 17.42 19.08 35.54 117.48 -134.05 -82.62 -165.36 68.59 30.64 0.76 43.08 18.89 6.08 0.09 0.76 0.00 30.17 0.92 97 E C S 111.42 7.52 23.05 30.55 99.82 -56.90 -82.56 11.41 73.16 25.46 1.38 19.72 37.20 16.86 0.14 1.30 0.00 23.36 1.42 98 G C C 19.05 14.28 20.18 33.99 121.44 -99.09 98.79 160.64 71.07 28.16 0.77 35.76 24.46 10.81 0.06 0.86 0.00 27.22 0.84 99 T E E 14.52 22.26 17.29 39.04 122.58 -89.74 -109.21 139.48 33.47 66.44 0.09 30.41 2.01 0.21 0.02 0.07 0.00 66.55 0.72 100 T E E 59.05 8.94 26.21 35.51 118.76 -146.85 -106.51 128.92 4.39 95.59 0.02 4.03 0.27 0.03 0.00 0.01 0.00 95.37 0.29 101 L E E 9.86 25.01 15.53 40.92 120.35 -164.46 -110.29 131.69 3.01 96.99 0.01 2.91 0.14 0.02 0.00 0.01 0.00 96.79 0.13 102 I E E 66.39 7.40 24.91 32.83 121.06 -165.83 -115.65 131.54 3.79 96.20 0.01 3.78 0.12 0.02 0.00 0.01 0.00 95.74 0.33 103 V E E 29.80 19.67 13.20 32.68 114.30 -143.30 -93.33 125.53 14.26 85.71 0.03 14.52 0.21 0.04 0.01 0.01 0.00 84.06 1.15 104 L C C 75.79 9.00 18.89 28.37 109.21 -154.16 -88.11 120.67 99.51 0.48 0.00 99.55 0.05 0.01 0.00 0.00 0.00 0.39 0.01