# 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 A C C 65.81 5.79 14.30 21.09 103.70 -118.97 -73.45 39.02 99.19 0.06 0.74 99.05 0.11 0.15 0.64 0.02 0.00 0.02 0.01 1 A H H 66.86 4.22 11.84 17.35 99.68 59.61 -69.99 -38.76 39.55 2.02 58.43 35.32 1.22 4.28 54.53 2.77 0.00 1.43 0.45 2 A H H 71.72 2.99 12.87 16.93 96.80 53.49 -68.38 -37.69 29.77 4.88 65.35 21.53 3.98 5.62 60.21 3.86 0.01 4.20 0.58 3 A H H 54.45 7.45 11.82 20.69 94.93 52.77 -67.46 -37.78 24.48 5.58 69.94 17.82 3.47 4.77 63.74 4.59 0.01 5.01 0.58 4 A H H 62.06 5.53 13.85 20.67 94.44 53.74 -68.41 -37.28 22.92 3.50 73.58 16.93 3.36 4.06 69.20 3.01 0.01 2.97 0.46 5 A H H 66.78 3.29 15.94 19.65 95.35 53.28 -68.16 -38.34 21.64 2.13 76.22 15.92 3.07 3.75 73.29 1.96 0.01 1.65 0.34 6 A H H 56.24 5.76 16.18 23.01 94.29 50.22 -67.02 -37.75 17.20 1.06 81.74 12.25 2.27 3.34 79.62 1.59 0.01 0.72 0.19 7 A H H 39.60 11.99 13.99 26.53 93.14 53.07 -65.75 -39.74 11.57 0.64 87.79 7.66 1.67 2.99 85.30 1.84 0.01 0.42 0.12 8 A H H 61.70 5.71 17.22 23.89 93.16 52.42 -65.91 -38.10 9.85 0.81 89.33 5.76 1.40 3.29 86.52 2.25 0.02 0.61 0.15 9 A H H 69.46 3.51 18.89 22.77 93.36 51.42 -67.82 -36.06 11.77 1.60 86.63 6.02 1.76 4.48 83.61 2.52 0.03 1.30 0.27 10 A H H 41.83 11.71 15.98 28.10 94.50 51.32 -71.45 -33.01 16.90 3.32 79.77 8.37 2.61 6.31 77.02 2.46 0.05 2.63 0.54 11 A H H 42.01 13.08 15.48 28.57 97.02 55.88 -73.45 -26.93 25.35 5.55 69.10 14.39 4.02 7.73 66.70 2.15 0.05 3.92 1.04 12 A H H 66.97 5.11 19.25 24.86 104.88 63.36 -78.56 88.17 39.18 3.90 56.91 22.84 5.24 11.20 54.22 2.91 0.03 2.72 0.85 13 A C H 61.97 7.83 17.06 25.53 103.17 20.33 -70.01 67.42 51.04 2.42 46.54 10.49 6.48 33.01 42.49 5.09 0.14 1.56 0.73 14 A C T 57.35 11.11 16.89 27.76 100.73 33.61 -64.66 12.62 62.16 2.46 35.39 13.55 8.45 39.24 30.92 5.38 0.09 1.72 0.65 15 A C C 50.24 9.88 18.07 28.35 105.83 131.21 -80.15 18.41 72.83 12.62 14.55 38.35 23.51 11.38 10.28 4.24 0.05 10.65 1.53 16 A E E 53.33 10.49 20.21 30.56 124.38 -94.30 -111.83 143.89 45.62 47.41 6.97 32.64 8.33 5.13 3.21 2.99 0.02 46.53 1.17 17 A E E 17.71 20.13 16.67 36.19 127.42 -167.27 -123.93 143.08 17.71 79.82 2.47 14.66 2.41 0.89 1.53 0.83 0.00 78.91 0.75 18 A E E 53.99 9.92 23.76 34.01 123.81 -155.08 -116.42 135.28 7.77 91.08 1.15 6.61 0.77 0.28 0.77 0.28 0.00 90.95 0.35 19 A E E 12.35 23.02 17.32 39.82 126.73 -170.98 -120.37 140.84 7.16 91.67 1.17 6.08 0.65 0.26 0.75 0.30 0.00 91.73 0.23 20 A E E 44.69 10.00 25.25 35.56 127.44 -163.04 -122.31 143.79 10.83 88.24 0.93 8.57 1.68 0.41 0.43 0.31 0.00 88.36 0.24 21 A E E 9.46 23.87 16.02 39.67 131.81 -174.48 -135.31 146.11 13.44 85.86 0.69 11.21 1.87 0.43 0.28 0.30 0.00 85.45 0.45 22 K E E 110.12 5.93 25.55 32.30 119.82 -150.90 -109.50 130.53 14.00 85.32 0.68 11.63 2.15 0.64 0.26 0.36 0.00 83.92 1.03 23 A E E 12.21 23.57 12.94 35.90 120.49 -167.04 -113.09 132.42 36.08 62.83 1.09 31.47 3.46 1.10 0.32 0.76 0.00 61.41 1.49 24 S C E 66.13 5.38 20.40 26.64 121.79 -161.71 -106.09 144.82 56.31 42.61 1.08 28.56 18.83 11.18 0.13 1.06 0.00 39.10 1.12 25 G C S 51.42 3.15 19.89 23.36 97.99 16.20 85.21 -2.43 73.27 25.96 0.77 16.32 40.95 15.57 0.06 0.79 0.00 25.46 0.84 26 Y C C 61.68 17.63 12.87 29.88 122.27 112.64 -104.04 141.10 65.19 33.88 0.94 48.69 13.53 3.28 0.19 0.94 0.00 30.78 2.59 27 I C C 84.76 7.32 22.39 30.29 118.88 -156.47 -109.98 129.78 66.97 32.29 0.74 52.74 10.48 3.08 0.17 0.75 0.00 29.05 3.74 28 F C C 30.98 21.46 13.58 34.32 115.72 -160.19 -105.11 122.30 68.61 30.50 0.90 56.99 8.51 2.34 0.23 0.84 0.00 25.54 5.54 29 T C S 74.52 5.95 21.31 27.68 108.43 174.38 -106.78 -18.27 77.19 21.95 0.86 25.94 30.50 21.93 0.10 0.90 0.00 19.04 1.59 30 N C S 91.54 5.86 22.11 28.13 107.54 14.75 -117.99 32.72 79.28 19.96 0.75 15.59 39.99 23.06 0.06 0.78 0.00 19.76 0.76 31 Y C E 31.39 20.22 15.97 35.67 131.35 106.35 -129.52 153.10 57.95 41.76 0.28 40.16 16.79 1.19 0.04 0.28 0.00 40.60 0.95 32 N E E 35.62 12.58 25.97 39.13 124.50 -139.72 -113.34 140.63 19.51 80.43 0.06 17.54 1.42 0.15 0.01 0.04 0.00 80.37 0.47 33 M E E 4.62 26.07 20.37 46.79 124.35 -162.16 -122.19 134.39 2.89 97.10 0.01 2.63 0.15 0.01 0.00 0.00 0.00 97.12 0.09 34 H E E 32.39 16.64 28.07 44.29 129.15 -173.47 -127.37 144.19 0.86 99.14 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.20 0.01 35 W E E 9.26 24.33 23.04 47.15 122.45 -150.83 -109.40 136.55 0.86 99.14 0.00 0.73 0.04 0.00 0.00 0.00 0.00 99.21 0.01 36 V E E 10.68 19.61 24.44 43.67 129.19 -172.59 -127.16 143.71 0.72 99.28 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.32 0.03 37 A E E 21.88 15.58 23.27 38.75 120.16 -145.17 -105.66 134.51 1.61 98.38 0.01 1.36 0.11 0.01 0.00 0.00 0.00 98.47 0.04 38 A E E 25.82 15.35 16.90 32.62 121.44 -153.59 -107.80 138.90 12.71 87.25 0.05 11.47 0.92 0.08 0.01 0.02 0.00 86.87 0.63 39 A C C 41.46 8.23 15.56 25.19 120.63 -140.15 -88.00 155.60 88.49 11.29 0.22 85.11 2.77 0.51 0.05 0.15 0.00 10.34 1.07 40 A C T 81.92 3.65 12.57 17.91 107.08 -85.72 -61.10 135.21 97.54 0.36 2.10 1.05 6.99 89.46 0.11 2.05 0.00 0.23 0.11 41 A C T 100.97 0.74 13.29 12.88 96.31 13.59 68.71 2.37 97.55 0.16 2.30 1.19 6.19 90.06 0.12 2.29 0.00 0.10 0.05 42 A C S 58.59 6.01 10.99 18.72 126.68 94.91 -118.25 163.34 93.31 3.81 2.89 26.70 59.77 6.85 0.36 2.61 0.00 2.05 1.67 43 A C C 69.35 3.19 17.85 21.11 118.56 -98.17 -76.63 158.69 91.38 8.31 0.31 74.15 15.80 1.37 0.05 0.32 0.00 7.09 1.22 44 A C C 30.82 19.63 12.00 30.73 114.76 -99.82 -72.53 138.92 56.25 43.68 0.07 52.85 2.15 0.15 0.01 0.06 0.00 44.36 0.43 45 E E E 81.17 8.96 22.71 32.10 124.48 -163.47 -119.79 138.94 7.32 92.66 0.03 6.51 0.58 0.04 0.01 0.02 0.00 92.63 0.21 46 W E E 92.93 16.06 20.06 35.49 110.73 -115.00 -73.66 127.65 0.97 99.03 0.00 0.93 0.03 0.00 0.00 0.00 0.00 99.00 0.03 47 I E E 9.48 21.60 21.66 43.64 100.63 175.36 -102.00 -24.21 5.24 94.76 0.00 2.72 1.83 0.14 0.00 0.00 0.00 95.28 0.02 48 G E E 1.87 19.92 23.98 44.39 145.63 -43.96 164.67 171.20 1.36 98.64 0.00 0.85 0.22 0.02 0.00 0.00 0.00 98.90 0.01 49 A E E 16.90 16.79 26.14 42.85 134.08 -106.92 -141.44 151.23 0.82 99.18 0.00 0.73 0.02 0.00 0.00 0.00 0.00 99.24 0.01 50 I E E 7.99 22.89 19.11 42.52 120.34 -145.87 -116.00 128.93 0.96 99.03 0.00 0.90 0.05 0.00 0.00 0.00 0.00 98.45 0.59 51 Y C C 56.85 9.21 23.00 33.64 109.14 -147.84 -98.73 112.96 60.27 39.71 0.02 59.06 0.89 0.06 0.00 0.01 0.00 39.36 0.61 52 P C T 33.00 18.61 13.72 32.35 93.73 -162.28 -64.36 -29.51 98.58 0.41 1.01 0.63 3.89 94.06 0.03 1.03 0.00 0.30 0.06 53 R C T 162.00 2.57 17.55 20.87 95.91 50.75 -73.69 -35.92 98.87 0.12 1.01 0.19 2.28 96.52 0.02 0.90 0.00 0.07 0.03 54 T C T 88.41 2.25 16.62 18.56 101.79 22.77 -105.38 -13.17 99.03 0.20 0.76 0.91 4.12 93.94 0.02 0.84 0.00 0.12 0.05 55 G C C 33.25 11.75 12.26 24.49 96.75 -123.55 79.08 7.09 96.84 2.74 0.42 66.36 8.15 22.21 0.08 0.36 0.00 2.34 0.49 56 D C C 79.70 3.95 19.94 24.70 118.21 139.37 -79.80 145.21 80.63 19.26 0.11 72.63 6.17 0.83 0.01 0.11 0.00 19.42 0.82 57 T E E 46.34 20.15 12.32 31.06 125.89 -157.93 -122.00 140.01 11.82 88.11 0.07 10.75 0.88 0.10 0.03 0.04 0.00 83.88 4.31 58 S E E 52.63 5.68 24.08 30.41 132.00 172.19 -136.68 150.47 9.92 90.02 0.05 8.26 1.71 0.14 0.01 0.04 0.00 88.92 0.92 59 Y E E 73.15 19.33 14.22 32.33 128.39 -147.20 -119.16 143.67 23.22 76.64 0.14 20.61 2.18 0.17 0.08 0.08 0.00 70.64 6.25 60 N C C 35.75 13.77 13.73 28.38 113.68 -120.77 -77.01 138.08 92.25 7.61 0.14 90.46 2.07 0.21 0.04 0.08 0.00 6.33 0.80 61 Q C G 142.85 1.75 16.54 18.91 91.71 -123.87 -61.71 -32.15 51.51 0.32 48.17 1.36 5.68 43.06 2.14 47.44 0.00 0.18 0.14 62 K C G 125.77 4.24 17.52 22.86 90.62 61.61 -68.36 -24.80 51.30 0.18 48.52 0.52 3.46 46.60 1.72 47.51 0.00 0.10 0.08 63 F C G 12.76 21.91 10.17 32.11 98.56 41.38 -104.32 1.14 51.34 0.94 47.72 2.01 5.12 43.14 2.24 46.54 0.01 0.59 0.35 64 K C T 123.86 7.24 14.68 24.25 109.80 126.72 -60.06 129.21 92.23 2.31 5.46 2.64 3.21 87.48 1.65 2.78 0.00 1.20 1.02 65 G C T 62.70 1.19 18.29 18.54 93.99 13.51 80.80 -2.83 93.40 0.55 6.05 0.81 3.15 90.50 1.05 3.97 0.00 0.38 0.14 66 K C T 93.11 9.88 18.24 28.56 100.38 78.02 -101.47 -18.23 91.56 2.61 5.84 8.92 19.40 63.32 1.10 4.54 0.00 2.34 0.37 67 A E E 5.07 24.06 12.48 36.67 136.08 34.49 -137.05 152.63 20.72 78.93 0.35 16.49 4.06 0.58 0.12 0.25 0.00 76.78 1.74 68 T E E 63.21 6.40 26.76 33.98 128.87 -162.92 -129.99 143.94 3.88 96.09 0.03 3.50 0.28 0.03 0.01 0.02 0.00 95.88 0.28 69 L E E 14.60 24.99 14.86 39.83 124.36 -159.28 -120.39 134.78 4.29 95.68 0.03 3.94 0.21 0.03 0.01 0.02 0.00 95.68 0.11 70 T E E 64.37 5.85 26.83 33.39 126.70 -174.48 -130.45 139.87 6.53 93.42 0.06 5.71 0.54 0.08 0.01 0.03 0.00 93.39 0.23 71 A E E 24.16 22.20 12.54 33.75 123.67 -158.98 -114.86 135.42 18.89 80.83 0.28 16.47 2.46 0.42 0.09 0.18 0.00 78.77 1.61 72 D C C 64.29 6.63 19.38 26.93 109.08 -148.16 -99.35 112.50 72.38 27.33 0.29 69.04 2.24 0.46 0.08 0.19 0.00 26.23 1.76 73 K C T 127.12 8.14 13.58 23.47 92.52 -158.00 -65.31 -26.44 94.97 0.91 4.11 3.72 15.71 75.12 0.29 4.23 0.00 0.67 0.25 74 S C T 92.26 1.00 17.71 17.25 93.88 54.73 -77.99 -21.52 94.61 0.65 4.74 2.22 15.82 76.16 0.36 4.78 0.00 0.43 0.23 75 S C S 47.62 8.60 15.93 25.38 104.90 34.35 -105.31 12.10 93.13 1.68 5.19 14.17 42.48 36.10 0.42 5.26 0.00 1.07 0.49 76 S C S 40.07 15.23 16.74 31.78 96.58 -140.43 59.95 17.81 96.86 2.32 0.81 23.70 45.84 27.27 0.09 0.82 0.00 1.97 0.33 77 T E E 40.49 11.30 23.01 35.19 128.18 104.32 -119.85 144.64 45.65 54.16 0.19 36.10 8.79 0.91 0.04 0.18 0.00 52.06 1.90 78 A E E 3.96 24.69 17.90 42.99 128.90 -167.53 -126.53 144.80 7.42 92.54 0.04 6.76 0.59 0.08 0.01 0.02 0.00 92.11 0.43 79 Y E E 64.64 12.49 27.41 40.33 124.23 -157.99 -119.28 136.73 1.98 98.01 0.01 1.66 0.14 0.01 0.00 0.00 0.00 98.15 0.03 80 A E E 2.34 26.32 19.18 46.19 123.72 -165.97 -119.23 134.47 0.80 99.20 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.25 0.01 81 A E E 38.14 10.87 27.85 39.37 120.97 -161.35 -112.16 131.87 0.47 99.53 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.52 0.03 82 A E E 5.13 25.21 16.48 42.12 118.72 -158.06 -107.38 129.44 8.01 91.92 0.08 8.03 0.13 0.02 0.03 0.03 0.00 90.90 0.86 83 A C S 50.64 7.73 23.57 31.51 118.77 -158.05 -88.94 154.26 81.74 16.93 1.32 28.01 43.33 9.21 0.16 1.08 0.00 17.85 0.37 84 A C S 63.98 5.91 24.47 30.53 104.21 -0.42 -51.05 113.98 88.69 10.51 0.80 19.34 58.62 10.53 0.11 0.68 0.00 10.01 0.70 85 A C C 11.52 24.48 11.16 35.07 114.81 -143.05 -80.95 135.00 89.86 9.98 0.15 89.19 1.38 0.08 0.06 0.06 0.00 6.48 2.74 86 A C C 47.35 5.52 23.92 29.24 131.05 -170.02 -115.50 166.25 91.43 8.42 0.15 90.08 1.55 0.08 0.08 0.04 0.00 2.20 5.97 87 A H G 66.17 10.39 16.18 27.10 91.50 -98.31 -59.41 -35.97 32.62 0.37 67.01 1.21 2.94 27.89 3.60 64.02 0.00 0.23 0.10 88 A H G 76.51 3.70 21.31 25.42 91.14 59.25 -69.44 -22.59 31.90 0.46 67.64 0.90 2.36 28.26 2.46 65.60 0.00 0.30 0.11 89 A H G 18.86 19.01 16.86 35.59 96.06 56.14 -88.71 -5.66 28.92 0.93 70.15 4.57 4.52 19.25 2.25 68.62 0.00 0.64 0.14 90 A C C 23.50 18.70 20.16 38.40 113.60 112.33 -74.71 134.01 81.94 14.27 3.80 71.71 7.94 1.81 2.16 1.56 0.00 13.70 1.12 91 A E E 18.25 17.58 25.45 42.07 141.25 154.23 -152.71 167.68 17.32 80.62 2.06 13.51 3.28 1.24 1.23 0.95 0.00 78.30 1.49 92 A E E 15.75 20.31 26.11 45.39 120.84 -109.14 -106.42 136.69 7.49 91.42 1.09 6.09 1.02 0.40 0.61 0.38 0.00 91.11 0.40 93 A E E 2.89 25.36 24.90 49.73 123.99 -163.04 -116.55 137.46 5.69 92.98 1.33 4.57 0.74 0.34 0.57 0.43 0.00 93.06 0.30 94 A E E 6.91 22.04 27.55 48.57 126.36 -161.53 -118.80 143.23 10.09 87.57 2.34 7.96 1.42 0.76 0.95 0.91 0.00 87.49 0.52 95 C E E 4.82 23.94 24.04 47.55 124.74 -165.10 -118.34 137.36 18.81 78.70 2.49 14.78 3.16 1.50 0.97 1.17 0.00 77.56 0.87 96 A E E 15.34 17.59 22.03 39.39 124.38 -159.57 -113.64 141.25 24.56 73.12 2.32 19.21 4.65 2.12 0.92 1.35 0.00 70.05 1.69 97 R E E 76.08 14.01 17.84 31.77 122.12 -165.00 -119.64 134.72 41.02 55.51 3.46 28.74 9.29 5.85 1.20 2.30 0.04 49.44 3.13 98 D C T 107.15 4.34 18.00 23.14 98.95 -11.89 42.43 50.71 86.98 9.41 3.61 33.93 16.40 37.01 0.88 2.52 0.00 8.29 0.97 99 G C T 51.33 4.25 17.25 22.24 100.68 -34.48 82.83 -3.17 94.25 2.42 3.34 32.14 19.35 42.98 0.69 2.59 0.00 1.79 0.45 100 F C C 83.52 12.25 15.81 28.35 121.81 88.48 -107.62 138.02 69.90 26.07 4.03 38.80 18.98 13.68 1.21 2.83 0.03 21.57 2.91 101 A C E 35.50 15.15 18.63 33.61 117.65 -138.79 -96.57 130.97 53.38 44.03 2.59 38.10 10.48 5.27 1.00 1.61 0.01 41.29 2.25 102 Y E E 68.45 15.60 21.05 36.07 123.69 -163.35 -116.27 136.26 39.10 58.06 2.84 29.51 6.92 3.19 1.62 1.53 0.01 52.37 4.85 103 W E E 46.76 20.51 19.90 39.24 116.64 -147.56 -99.37 132.13 46.71 50.21 3.08 32.41 9.29 6.01 1.43 1.78 0.02 44.49 4.56 104 A C C 24.20 16.78 21.63 37.35 121.86 -125.89 -83.94 167.04 72.39 24.91 2.70 43.84 19.18 9.60 0.70 1.93 0.00 23.09 1.67 105 A C C 55.42 9.69 25.00 34.49 111.52 -66.92 -73.39 139.96 76.34 21.11 2.55 45.25 22.75 8.27 0.47 2.02 0.00 20.12 1.13 106 A C C 20.07 21.54 18.70 38.83 119.68 -110.16 -79.15 150.83 68.93 30.07 1.00 53.06 10.90 3.26 0.14 0.81 0.00 31.24 0.60 107 A E E 17.22 18.47 22.54 40.33 122.97 -133.49 -112.33 143.81 17.43 82.35 0.22 15.56 1.24 0.21 0.06 0.10 0.00 82.52 0.31 108 A E E 38.84 14.36 25.01 38.60 121.47 -135.88 -103.12 138.10 1.98 97.97 0.06 1.60 0.21 0.02 0.02 0.01 0.00 98.06 0.07 109 A E E 5.74 23.90 18.43 42.27 127.93 -170.49 -123.48 143.57 0.97 99.00 0.03 0.87 0.03 0.01 0.01 0.00 0.00 99.04 0.03 110 A E E 42.97 9.90 25.13 35.24 125.22 -157.25 -115.03 142.87 2.70 97.24 0.06 2.56 0.13 0.02 0.03 0.01 0.00 97.09 0.16 111 A E E 18.18 21.09 13.83 34.18 115.39 -130.47 -87.50 136.73 19.10 80.33 0.57 18.74 0.55 0.21 0.33 0.24 0.00 78.55 1.39 112 A C C 60.50 7.16 20.70 27.92 114.96 -136.09 -86.74 140.00 99.00 0.99 0.01 98.96 0.09 0.03 0.00 0.00 0.00 0.90 0.02