# 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 E C C 130.03 3.49 13.26 18.22 113.85 -155.13 -93.22 127.54 99.92 0.07 0.01 99.87 0.07 0.02 0.00 0.00 0.00 0.03 0.01 1 R C C 147.11 4.99 9.48 16.36 113.47 -150.70 -92.15 130.54 90.92 2.76 6.32 84.62 1.30 5.91 1.48 3.95 0.00 1.88 0.86 2 N C C 106.81 3.97 10.41 16.08 110.53 -160.40 -94.15 113.31 89.34 3.67 6.99 57.04 15.02 16.79 0.91 6.70 0.00 2.69 0.86 3 Q C C 117.25 4.41 11.31 17.40 111.40 -158.43 -94.60 117.74 85.72 6.32 7.95 54.09 18.34 12.94 0.93 7.71 0.00 4.93 1.06 4 R C C 125.72 8.19 11.29 20.77 117.44 -155.85 -96.91 136.51 81.61 15.22 3.17 61.86 14.68 4.84 0.58 2.75 0.00 14.01 1.27 5 K C C 104.02 7.41 15.40 24.02 118.76 -150.52 -102.25 137.15 64.91 34.04 1.05 55.07 7.31 1.63 0.25 0.78 0.00 33.70 1.26 6 V E E 69.41 10.97 15.93 27.59 120.65 -148.32 -107.70 133.49 38.89 60.89 0.22 34.58 3.30 0.40 0.06 0.15 0.00 60.62 0.89 7 Y E E 46.14 15.68 15.88 32.15 125.84 -169.93 -120.49 141.82 18.85 81.07 0.08 17.06 1.38 0.19 0.02 0.06 0.00 80.66 0.63 8 Q E E 92.53 8.04 22.22 31.07 123.27 -154.59 -115.89 137.68 12.32 87.64 0.04 10.86 0.88 0.10 0.01 0.03 0.00 87.80 0.32 9 G E E 10.36 18.02 16.71 34.73 142.15 152.44 -156.79 167.84 5.99 93.99 0.02 4.61 0.93 0.08 0.00 0.01 0.00 94.30 0.06 10 R E E 115.07 5.88 24.32 31.10 125.76 -107.64 -122.24 142.31 1.90 98.09 0.01 1.61 0.12 0.01 0.00 0.00 0.00 98.19 0.05 11 V E E 28.99 20.67 13.41 33.99 110.01 -115.36 -75.94 126.62 1.99 97.99 0.02 1.82 0.07 0.01 0.01 0.01 0.00 98.00 0.09 12 V E E 68.62 6.83 20.36 28.12 102.31 176.34 -101.16 -25.02 7.98 91.92 0.10 6.21 1.46 0.20 0.02 0.07 0.00 91.83 0.22 13 S E E 51.23 7.00 18.95 26.90 137.15 1.89 -149.38 152.14 26.59 73.10 0.31 17.72 7.86 1.12 0.06 0.21 0.00 72.63 0.39 14 D C C 69.48 12.34 12.50 24.99 117.98 -166.75 -124.04 118.64 59.07 40.04 0.89 44.96 10.29 2.48 0.16 0.73 0.00 40.70 0.68 15 K C S 137.54 3.74 15.08 19.84 101.43 155.59 -92.18 -0.30 68.30 29.66 2.05 25.33 31.13 12.95 0.26 1.86 0.01 27.05 1.40 16 M C S 92.89 6.08 12.02 19.60 120.52 86.74 -115.29 151.72 66.13 30.31 3.56 24.22 26.00 18.03 0.63 3.02 0.04 22.30 5.77 17 D C T 117.73 2.20 15.61 18.29 97.98 -79.97 -64.04 -14.80 98.23 0.59 1.18 4.34 33.28 60.67 0.09 1.07 0.00 0.38 0.16 18 K C T 110.03 9.05 14.88 24.32 99.62 2.81 -104.58 10.13 98.36 0.91 0.73 3.02 34.89 60.58 0.03 0.67 0.00 0.69 0.12 19 T E E 33.21 11.30 17.48 30.35 130.97 77.62 -129.28 146.19 20.04 79.87 0.09 14.29 5.37 0.63 0.02 0.08 0.00 78.66 0.95 20 I E E 11.95 19.69 16.97 37.50 122.80 -155.95 -116.68 135.06 4.33 95.67 0.00 3.91 0.13 0.00 0.00 0.00 0.00 95.90 0.06 21 T E E 26.30 10.77 24.55 36.71 119.09 -154.68 -109.85 131.06 0.52 99.48 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.54 0.00 22 V E E 5.49 23.26 17.59 41.53 120.16 -164.78 -114.82 130.25 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 23 V E E 33.59 9.57 24.40 35.38 117.15 -153.97 -105.17 127.78 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 24 V E E 11.49 20.27 16.17 36.99 122.83 -169.34 -118.20 133.35 0.30 99.70 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 25 E E E 76.12 8.30 21.38 30.36 118.84 -152.97 -104.39 131.52 1.30 98.70 0.00 1.14 0.05 0.00 0.00 0.00 0.00 98.80 0.01 26 T E E 27.80 14.09 14.84 30.03 129.79 -174.31 -131.07 150.29 2.36 97.64 0.01 2.07 0.09 0.01 0.00 0.00 0.00 97.80 0.02 27 K E E 103.31 7.51 16.37 25.21 119.71 -141.81 -108.26 133.70 1.87 98.12 0.01 1.58 0.11 0.01 0.00 0.00 0.00 98.26 0.03 28 K E E 87.53 8.00 14.95 24.45 128.00 -172.94 -127.30 146.29 2.15 97.84 0.01 1.76 0.18 0.02 0.00 0.00 0.00 97.99 0.04 29 N E E 95.63 4.60 13.34 19.61 114.99 -118.07 -86.86 132.59 4.26 95.72 0.02 3.77 0.35 0.04 0.01 0.01 0.00 95.28 0.54 30 H C C 50.51 10.41 7.90 19.91 110.64 -137.23 -92.54 117.47 60.14 39.77 0.10 58.42 1.05 0.19 0.03 0.05 0.00 39.32 0.94 31 P C T 113.54 1.16 11.54 13.09 92.83 -148.50 -64.30 -27.73 97.95 0.31 1.75 0.46 3.06 94.55 0.07 1.57 0.00 0.21 0.07 32 I C T 132.45 1.29 10.91 12.65 97.39 47.43 -76.34 -38.50 98.26 0.17 1.57 0.23 2.51 95.75 0.05 1.31 0.00 0.09 0.06 33 Y C T 133.59 3.10 10.02 14.53 101.13 24.67 -105.04 -10.47 98.54 0.21 1.24 0.48 2.68 95.55 0.06 1.05 0.00 0.12 0.05 34 G C C 53.90 2.23 11.17 14.77 96.00 -125.42 74.69 9.84 98.35 1.28 0.37 52.65 6.52 39.11 0.07 0.26 0.00 1.23 0.16 35 K C C 112.17 2.98 11.80 16.53 124.60 124.34 -108.70 151.25 70.21 29.74 0.05 64.57 3.22 0.32 0.01 0.05 0.00 31.45 0.39 36 R E E 141.85 5.82 11.45 19.34 117.70 -121.92 -90.36 135.34 1.78 98.22 0.00 1.59 0.08 0.00 0.00 0.00 0.00 98.15 0.17 37 M E E 62.68 9.17 12.43 23.58 126.55 -172.05 -124.89 144.69 0.66 99.34 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.41 0.00 38 K E E 123.63 6.25 14.19 22.50 120.40 -145.15 -107.55 134.66 0.40 99.60 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 39 Y E E 77.90 9.95 13.65 25.30 129.53 -176.53 -132.21 147.83 0.47 99.53 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.00 40 S E E 61.37 8.60 14.58 24.68 124.61 -155.15 -118.69 142.45 1.73 98.27 0.00 1.51 0.05 0.00 0.00 0.00 0.00 98.43 0.01 41 K E E 79.25 10.00 15.75 26.92 131.06 -175.20 -136.37 147.61 2.01 97.99 0.00 1.81 0.09 0.00 0.00 0.00 0.00 98.06 0.03 42 K E E 114.38 7.44 18.12 26.90 118.72 -135.54 -101.81 133.56 3.86 96.14 0.00 3.54 0.23 0.01 0.00 0.00 0.00 96.16 0.06 43 Y E E 30.34 18.36 15.40 34.07 130.05 -174.65 -129.36 147.18 5.07 94.93 0.00 4.77 0.20 0.01 0.00 0.00 0.00 94.88 0.14 44 K E E 91.05 8.96 23.98 33.44 121.20 -142.25 -105.33 138.97 6.16 93.83 0.00 5.97 0.20 0.01 0.00 0.00 0.00 93.37 0.45 45 A E E 5.92 23.76 16.39 40.27 129.18 -172.34 -126.85 145.28 20.04 79.93 0.03 19.41 0.60 0.05 0.01 0.02 0.00 78.90 1.02 46 H E E 68.55 9.53 23.83 33.88 122.58 -153.01 -117.54 133.70 29.41 70.51 0.08 26.55 2.12 0.18 0.03 0.07 0.00 65.73 5.31 47 D C C 21.12 19.14 13.46 32.32 111.15 -165.24 -116.45 104.34 85.98 13.81 0.21 83.27 2.33 0.48 0.05 0.15 0.00 12.31 1.42 48 E C T 124.65 4.32 17.14 22.88 94.35 -166.96 -68.56 -26.43 97.09 1.39 1.52 20.21 19.66 56.82 0.12 1.85 0.00 0.97 0.37 49 N C T 109.90 2.26 17.73 19.76 96.17 41.48 -93.84 4.57 97.79 0.68 1.52 4.17 33.16 60.34 0.08 1.61 0.00 0.42 0.21 50 N C S 82.85 11.68 13.60 25.79 94.20 -121.63 62.61 32.95 96.51 2.57 0.92 28.58 62.04 5.83 0.09 0.99 0.00 1.55 0.91 51 T C C 77.06 5.06 21.96 27.39 101.33 125.24 -97.89 3.98 92.93 6.80 0.27 87.17 4.66 1.08 0.08 0.21 0.00 3.10 3.70 52 A C C 7.73 24.50 10.70 34.45 124.48 126.07 -104.43 145.72 91.64 8.24 0.12 90.42 2.28 0.27 0.04 0.08 0.00 3.89 3.02 53 K C C 115.71 3.08 24.98 28.34 131.16 -163.66 -127.63 155.16 93.53 6.40 0.07 93.15 1.44 0.18 0.02 0.04 0.00 2.53 2.64 54 V C T 80.32 11.98 16.09 28.33 110.59 -82.53 -59.41 135.42 99.48 0.40 0.12 0.18 1.62 97.87 0.00 0.07 0.00 0.17 0.08 55 G C T 36.58 5.62 20.56 27.36 96.71 26.62 89.82 -7.28 99.90 0.06 0.04 0.27 1.71 97.95 0.00 0.03 0.00 0.04 0.00 56 D C C 27.10 14.98 17.28 33.52 117.62 133.97 -70.46 145.71 97.25 2.74 0.00 96.25 1.22 0.01 0.00 0.00 0.00 2.46 0.06 57 I E E 53.93 10.64 24.37 35.84 116.06 -129.91 -96.75 130.74 0.57 99.42 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.28 0.11 58 V E E 3.61 25.71 16.78 43.18 130.78 -174.61 -127.80 150.80 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 59 K E E 67.17 9.33 26.95 37.25 118.35 -131.62 -100.86 133.05 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 60 I E E 9.43 24.35 16.60 41.26 117.85 -148.18 -101.96 129.35 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 61 M E E 56.24 9.62 23.61 33.75 130.20 -174.67 -126.67 151.64 0.85 99.15 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.22 0.01 62 E E E 87.62 11.40 18.77 30.27 114.68 -111.37 -80.22 137.67 3.86 96.12 0.02 3.37 0.27 0.03 0.00 0.01 0.00 96.21 0.11 63 T E E 33.51 14.60 13.10 28.14 130.78 -175.76 -127.44 155.85 39.06 60.85 0.08 34.47 3.28 0.21 0.02 0.06 0.00 61.39 0.57 64 R C C 160.59 2.30 17.22 19.91 115.18 -105.66 -92.98 135.36 62.63 37.15 0.22 43.05 18.42 1.03 0.04 0.20 0.00 36.47 0.79 65 P C C 66.67 10.94 9.32 20.82 112.46 -105.50 -67.52 140.40 74.18 24.99 0.82 61.02 10.09 2.63 0.18 0.69 0.00 23.64 1.75 66 L C S 122.97 2.24 12.04 15.42 99.45 -165.91 -86.19 -27.28 84.94 14.03 1.04 31.92 45.16 8.67 0.19 0.94 0.00 10.25 2.86 67 S C S 58.50 2.35 13.47 16.34 135.28 4.17 -150.32 167.93 86.62 12.18 1.21 24.43 52.17 10.51 0.21 1.09 0.00 7.78 3.79 68 A C S 92.74 2.23 11.05 14.64 92.77 -95.89 -66.17 -24.21 97.53 0.76 1.71 4.13 58.79 34.91 0.16 1.34 0.00 0.43 0.25 69 T C S 95.29 2.76 13.85 17.25 100.95 51.43 -93.16 -8.96 95.10 3.57 1.33 6.06 56.74 32.66 0.11 1.14 0.00 2.79 0.49 70 K C C 73.54 11.07 13.50 25.51 115.70 54.02 -107.69 125.64 59.14 40.19 0.67 46.51 9.82 2.32 0.14 0.61 0.00 38.12 2.48 71 R E E 73.70 11.63 18.41 30.84 127.44 98.35 -120.82 144.82 33.60 66.30 0.11 29.35 3.15 0.35 0.03 0.08 0.00 66.17 0.88 72 F E E 17.70 21.06 16.64 37.88 127.33 -156.27 -121.78 143.15 9.62 90.36 0.02 8.40 0.64 0.05 0.00 0.01 0.00 90.78 0.12 73 R E E 82.95 9.05 25.29 34.95 123.75 -154.50 -118.39 137.27 0.81 99.19 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.22 0.02 74 L E E 20.96 21.44 14.80 36.62 109.90 -116.13 -74.07 126.46 0.30 99.70 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.01 75 L E E 70.67 7.65 20.68 29.30 101.34 175.90 -97.11 -33.49 0.85 99.15 0.01 0.60 0.12 0.01 0.00 0.00 0.00 99.26 0.01 76 E E E 93.42 3.83 23.55 27.70 137.90 -3.47 -150.97 150.04 0.51 99.48 0.00 0.39 0.04 0.00 0.00 0.00 0.00 99.56 0.00 77 V E E 52.51 17.23 12.89 29.59 111.06 -126.29 -89.28 121.25 0.82 99.17 0.01 0.80 0.02 0.00 0.00 0.00 0.00 99.16 0.02 78 V E E 65.18 7.46 16.82 25.72 101.85 178.01 -94.90 -31.45 5.94 93.98 0.09 4.72 0.86 0.11 0.02 0.04 0.00 94.17 0.08 79 E E E 100.58 5.02 17.58 23.86 135.17 -1.04 -147.03 150.57 11.46 88.28 0.25 8.72 2.38 0.46 0.05 0.15 0.00 88.03 0.22 80 E E E 112.27 8.85 12.05 22.25 120.31 -147.79 -110.24 134.81 34.98 64.36 0.66 28.77 4.52 1.21 0.13 0.49 0.00 64.38 0.49 81 A C C 58.30 7.43 11.10 19.96 115.45 -148.10 -93.39 141.60 66.85 32.64 0.50 63.23 1.30 1.19 0.12 0.33 0.00 32.58 1.25 82 V C C 98.92 5.14 12.45 19.26 112.37 -133.96 -96.52 121.42 99.75 0.25 0.00 99.78 0.04 0.01 0.00 0.00 0.00 0.16 0.01