# 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 54.76 12.39 15.57 28.10 122.14 -168.16 -103.68 150.19 99.93 0.07 0.01 99.90 0.05 0.02 0.00 0.00 0.00 0.03 0.01 1 D C C 81.14 7.15 17.38 25.29 105.40 -117.47 -84.41 88.47 90.45 3.55 6.00 82.41 1.86 6.19 4.83 1.03 0.00 1.48 2.21 2 T C C 31.12 18.95 11.67 29.47 96.80 141.67 -80.49 -11.05 70.97 1.23 27.80 48.21 11.93 9.36 25.95 3.37 0.00 0.50 0.67 3 T H H 72.21 4.60 17.53 23.27 92.95 83.46 -61.96 -38.91 25.87 0.60 73.53 13.34 5.14 8.19 58.44 14.32 0.03 0.33 0.22 4 P H H 56.92 7.01 17.67 26.03 91.96 52.89 -65.78 -33.59 17.25 0.49 82.25 6.25 2.59 7.92 62.17 20.57 0.04 0.33 0.14 5 L H H 13.17 22.08 12.12 33.72 93.11 52.49 -69.77 -31.73 12.19 0.40 87.41 3.87 1.84 5.93 64.40 23.55 0.03 0.26 0.11 6 K H H 106.50 10.26 16.95 27.56 92.73 61.46 -67.97 -26.27 26.39 0.85 72.76 6.07 4.02 15.70 57.57 15.67 0.13 0.49 0.34 7 L C T 116.15 2.74 17.98 20.86 95.38 55.01 -85.69 -9.30 53.95 1.26 44.79 7.44 9.25 36.93 34.57 10.26 0.21 0.62 0.73 8 S C C 37.68 13.23 10.80 24.43 117.39 91.24 -90.39 142.15 93.16 1.43 5.42 52.05 32.76 8.61 3.14 1.88 0.00 0.57 0.99 9 N C S 120.46 3.09 17.32 21.47 96.09 -149.18 -78.27 -14.24 93.31 1.13 5.56 26.75 33.86 32.40 0.52 5.45 0.00 0.66 0.36 10 E C C 94.50 8.90 18.05 27.38 113.34 59.72 -98.25 114.48 88.59 6.00 5.40 29.85 29.60 28.99 0.33 5.53 0.00 5.19 0.52 11 L C E 29.04 18.31 16.96 35.05 119.48 94.27 -104.29 134.63 51.86 45.20 2.93 38.23 10.46 3.07 0.24 2.75 0.00 44.43 0.82 12 Y E E 39.96 15.54 24.30 39.67 134.88 85.19 -135.05 152.11 8.31 91.66 0.03 7.17 0.74 0.05 0.00 0.02 0.00 91.86 0.16 13 A E E 3.36 24.13 21.61 45.85 129.46 -161.45 -129.91 144.08 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 14 I E E 23.86 15.45 26.08 41.89 117.92 -152.84 -109.58 126.30 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 15 F E E 7.85 23.44 19.18 42.78 126.53 -172.87 -121.69 141.75 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 16 K E E 63.48 9.92 23.60 34.28 114.99 -144.45 -101.75 124.27 0.57 99.43 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.00 17 I E E 16.60 20.77 13.75 34.42 117.25 -174.51 -125.14 117.36 6.59 93.32 0.09 3.67 1.52 1.01 0.01 0.11 0.00 93.54 0.16 18 H C T 105.63 8.07 15.85 25.28 93.60 -16.60 54.15 40.65 99.28 0.40 0.32 0.43 4.86 94.02 0.00 0.36 0.00 0.28 0.03 19 N C T 130.24 2.15 16.37 19.20 94.20 -48.26 67.58 11.70 99.68 0.09 0.23 0.42 4.65 94.58 0.00 0.29 0.00 0.06 0.01 20 R E E 116.28 5.81 17.15 24.63 124.10 105.67 -115.77 136.37 5.97 94.02 0.01 3.85 1.76 0.07 0.00 0.00 0.00 94.11 0.21 21 P E E 57.70 12.97 16.75 29.97 114.39 -115.26 -72.35 139.54 2.75 97.25 0.00 2.51 0.04 0.00 0.00 0.00 0.00 97.44 0.01 22 Y E E 31.18 18.64 18.00 36.55 130.84 -172.81 -132.52 146.81 0.22 99.78 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 23 L E E 52.59 11.60 25.52 37.44 114.95 -127.63 -93.69 128.50 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 24 V E E 3.84 25.75 15.99 42.51 123.93 -166.86 -116.08 139.01 1.10 98.90 0.00 1.09 0.01 0.00 0.00 0.00 0.00 98.83 0.06 25 T C C 48.01 7.80 24.84 32.78 132.92 -168.86 -124.28 162.62 63.75 36.24 0.01 64.18 0.51 0.02 0.00 0.00 0.00 34.60 0.69 26 E C T 106.50 10.30 15.97 26.95 108.91 -75.59 -59.16 133.56 99.47 0.41 0.12 0.11 1.24 98.36 0.00 0.06 0.00 0.20 0.03 27 G C T 50.85 2.80 19.51 22.59 96.75 21.69 89.11 -6.46 99.87 0.08 0.05 0.22 1.56 98.13 0.00 0.03 0.00 0.05 0.00 28 D C C 45.03 13.33 14.34 28.51 119.60 126.53 -74.48 149.77 97.19 2.79 0.02 92.42 4.91 0.08 0.00 0.01 0.00 2.38 0.19 29 R E E 123.11 7.86 21.31 30.20 119.52 -137.12 -106.48 131.51 8.96 91.02 0.02 9.34 0.17 0.01 0.01 0.01 0.00 88.43 2.03 30 V E E 9.09 23.74 15.69 39.54 125.37 -169.85 -119.89 137.96 1.76 98.24 0.00 1.71 0.05 0.00 0.00 0.00 0.00 98.17 0.07 31 I E E 71.07 8.72 25.54 34.75 116.80 -150.53 -108.03 124.76 3.09 96.90 0.01 3.06 0.09 0.01 0.01 0.00 0.00 96.65 0.18 32 L E E 8.29 24.22 15.28 39.97 113.19 -155.90 -99.48 120.82 43.76 55.80 0.43 41.76 1.23 0.18 0.09 0.27 0.00 56.06 0.41 33 P C C 51.55 8.77 22.05 31.75 101.36 -147.47 -71.37 -0.46 65.35 24.05 10.60 39.35 16.28 10.05 1.49 8.66 0.01 23.23 0.93 34 F C C 66.54 15.14 16.86 31.45 111.84 34.13 -98.78 113.44 71.24 10.09 18.68 38.92 19.14 14.20 3.38 15.12 0.01 7.32 1.90 35 K C C 104.31 9.16 18.93 28.39 104.88 115.93 -91.43 77.24 75.66 7.43 16.92 52.89 11.99 10.34 3.50 13.97 0.00 4.90 2.39 36 L C C 41.38 18.58 12.63 30.13 107.98 80.46 -91.06 95.36 74.14 5.16 20.70 47.89 15.12 10.06 4.20 17.42 0.01 2.58 2.71 37 K C T 122.66 5.92 17.41 24.39 109.52 64.89 -80.47 129.35 83.35 1.41 15.24 16.69 15.61 50.43 2.12 13.71 0.00 0.76 0.68 38 Q C T 135.88 2.77 19.72 22.87 99.29 7.85 -20.31 44.49 86.82 0.67 12.51 23.04 12.92 49.95 1.34 12.06 0.00 0.34 0.34 39 A C C 15.60 21.11 9.32 29.01 121.45 155.47 -94.47 145.20 98.27 0.68 1.05 89.77 7.40 0.98 0.30 0.66 0.00 0.21 0.68 40 E C C 120.48 2.37 22.87 24.60 123.30 -142.52 -102.04 150.49 99.65 0.23 0.12 97.61 1.79 0.23 0.05 0.04 0.00 0.06 0.24 41 V C T 83.39 11.04 14.10 25.80 109.68 -84.18 -59.66 134.64 99.72 0.15 0.12 0.37 1.69 97.74 0.01 0.07 0.00 0.06 0.06 42 G C T 42.73 4.37 18.99 24.37 96.53 25.59 90.26 -6.71 99.92 0.04 0.05 0.45 1.62 97.86 0.00 0.04 0.00 0.03 0.00 43 D C C 44.21 11.26 15.87 28.71 118.42 131.40 -72.19 148.02 97.16 2.83 0.01 95.60 1.65 0.03 0.00 0.01 0.00 2.62 0.09 44 I E E 77.05 9.54 21.50 31.66 117.46 -133.57 -103.05 130.45 2.85 97.14 0.00 2.90 0.06 0.00 0.00 0.00 0.00 96.64 0.40 45 L E E 9.67 23.62 15.82 39.57 123.13 -169.04 -116.62 134.98 0.47 99.53 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.50 0.02 46 N E E 72.99 7.67 25.77 33.86 114.32 -151.25 -103.88 122.46 0.83 99.17 0.00 0.80 0.01 0.00 0.00 0.00 0.00 99.15 0.03 47 M E E 9.22 24.62 14.69 39.53 113.98 -163.04 -105.27 122.45 7.35 92.62 0.03 7.09 0.20 0.02 0.00 0.02 0.00 92.44 0.22 48 T E E 62.71 7.28 24.10 31.87 100.85 175.84 -98.95 -21.75 22.72 77.07 0.22 11.37 9.79 1.09 0.01 0.23 0.00 77.36 0.14 49 D E E 58.41 9.68 24.60 34.55 124.68 17.56 -128.44 134.75 16.61 83.09 0.31 9.82 6.11 1.15 0.03 0.32 0.00 82.39 0.18 50 V E E 7.68 24.91 17.67 42.63 120.88 -170.24 -113.95 134.63 8.32 91.62 0.05 7.70 0.44 0.04 0.01 0.03 0.00 91.61 0.16 51 T E E 18.82 16.06 25.35 41.15 125.34 -167.64 -115.64 144.25 2.34 97.65 0.01 2.01 0.22 0.01 0.00 0.00 0.00 97.72 0.04 52 T E E 21.94 19.36 23.72 42.19 122.70 -154.79 -113.44 133.65 0.56 99.43 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.47 0.01 53 L E E 21.19 18.44 21.78 39.92 125.40 -172.13 -125.58 136.90 2.78 97.21 0.01 2.37 0.22 0.02 0.00 0.00 0.00 97.29 0.09 54 G E E 14.70 14.49 19.73 34.34 141.36 140.94 -153.70 170.28 25.78 74.15 0.08 14.95 9.64 1.08 0.01 0.08 0.00 73.91 0.33 55 S C C 38.55 9.82 17.42 28.04 131.46 -115.70 -127.14 173.37 63.07 36.45 0.47 39.75 20.07 3.49 0.07 0.52 0.00 34.50 1.60 56 R C T 171.38 3.03 15.88 19.88 96.42 -67.61 -65.88 -33.39 97.69 1.05 1.26 3.90 44.32 49.59 0.07 1.21 0.00 0.70 0.22 57 N C T 120.54 2.04 16.76 18.80 102.54 18.79 -105.00 -0.90 97.72 1.18 1.10 5.33 41.61 50.82 0.06 1.10 0.00 0.88 0.19 58 Y E E 73.81 15.32 12.19 27.23 126.76 57.60 -122.12 139.75 40.61 59.04 0.35 30.57 8.20 1.89 0.06 0.33 0.00 57.87 1.07 59 K E E 103.82 7.14 19.33 27.96 126.52 -171.12 -127.97 138.55 9.42 90.54 0.04 8.49 0.61 0.07 0.01 0.02 0.00 90.41 0.39 60 L E E 46.60 17.67 14.13 31.45 117.33 -150.99 -101.49 130.10 2.91 97.06 0.03 2.69 0.17 0.03 0.01 0.01 0.00 96.63 0.46 61 V E E 75.81 8.14 17.86 27.06 123.14 -171.26 -120.40 136.98 17.91 81.97 0.12 14.11 3.23 0.53 0.03 0.07 0.00 81.47 0.56 62 G C S 36.04 5.63 18.81 25.22 131.17 24.32 112.76 -173.97 80.19 19.74 0.07 22.38 53.19 3.03 0.00 0.09 0.00 20.89 0.41 63 H C C 126.01 4.70 20.01 25.66 118.37 -50.67 -87.92 140.70 88.71 11.22 0.07 54.20 33.52 0.88 0.01 0.08 0.00 10.61 0.70 64 P C C 56.01 15.06 17.32 31.68 114.61 -99.72 -67.87 148.85 87.97 11.92 0.12 78.30 9.04 0.77 0.03 0.12 0.00 9.06 2.69 65 I C C 19.80 22.85 12.78 35.05 117.14 -114.65 -88.40 135.77 77.24 22.64 0.12 73.31 4.36 0.19 0.06 0.07 0.00 9.41 12.61 66 N C C 78.76 6.00 21.42 27.72 107.70 -113.11 -76.76 119.65 97.37 2.56 0.06 96.45 1.21 0.14 0.02 0.03 0.00 1.71 0.43 67 T H G 77.87 12.21 13.27 25.86 92.98 -152.93 -64.64 -23.90 48.77 0.73 50.50 3.79 4.84 36.54 0.83 53.36 0.00 0.48 0.15 68 S C G 84.08 2.22 19.64 21.84 91.29 64.70 -72.79 -14.83 52.19 0.55 47.25 1.23 3.75 44.49 0.63 49.40 0.00 0.38 0.12 69 L C G 47.04 13.45 16.16 30.05 99.22 49.74 -97.71 -12.94 50.58 1.96 47.46 4.56 6.71 36.16 0.71 49.93 0.00 1.70 0.23 70 Y E E 14.03 22.94 14.21 37.00 132.36 48.86 -132.29 148.86 26.61 73.30 0.10 23.89 2.15 0.13 0.02 0.06 0.00 73.33 0.42 71 T E E 43.02 9.51 26.20 36.36 125.07 -165.72 -121.44 136.92 1.69 98.31 0.00 1.72 0.05 0.00 0.00 0.00 0.00 98.19 0.04 72 L E E 6.96 25.33 17.17 42.90 122.99 -164.80 -118.17 131.90 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 73 K E E 78.09 8.49 27.35 36.44 120.36 -167.04 -116.35 129.29 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 74 A E E 4.90 25.37 15.76 41.47 130.06 -174.07 -126.35 147.31 0.30 99.70 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 75 T E E 46.96 7.77 26.94 35.63 121.23 -157.47 -118.89 131.30 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 76 V E E 20.67 21.50 14.72 36.54 110.21 -127.28 -80.69 121.50 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 77 V E E 67.11 6.73 20.70 28.49 100.70 174.67 -99.89 -24.74 1.88 98.12 0.00 1.24 0.32 0.03 0.00 0.00 0.00 98.40 0.01 78 G E E 24.97 5.68 22.37 29.03 144.06 -25.47 166.58 170.91 6.92 93.07 0.01 2.78 3.73 0.18 0.00 0.01 0.00 93.28 0.03 79 K E E 94.39 15.06 13.97 28.76 127.48 -126.86 -128.09 139.43 10.24 89.74 0.02 9.09 0.78 0.05 0.00 0.01 0.00 89.92 0.15 80 T E E 51.49 8.32 17.35 27.05 129.04 -171.92 -129.29 148.52 15.61 84.35 0.04 14.62 0.88 0.07 0.01 0.02 0.00 83.68 0.72 81 K E E 121.73 7.83 14.84 24.36 119.16 -136.93 -104.22 133.75 21.42 78.54 0.04 17.83 3.48 0.18 0.01 0.03 0.00 77.54 0.93 82 R E E 103.56 7.99 15.32 24.74 128.69 177.81 -127.49 151.15 29.93 70.02 0.06 25.11 4.45 0.20 0.01 0.04 0.00 69.62 0.56 83 A E E 61.04 6.32 17.31 24.47 114.71 -101.11 -70.52 145.88 32.29 67.60 0.11 28.98 2.13 0.21 0.02 0.07 0.00 68.24 0.34 84 F E E 55.87 15.76 12.11 27.71 120.30 -128.90 -94.93 143.17 26.41 73.38 0.21 23.77 1.80 0.25 0.06 0.11 0.00 73.57 0.44 85 Q E E 75.71 8.28 17.17 26.76 120.63 -141.56 -110.02 133.85 4.57 95.30 0.13 4.18 0.30 0.06 0.05 0.05 0.00 95.03 0.34 86 T E E 50.71 11.59 14.56 27.29 118.77 -151.53 -106.48 131.27 4.02 95.84 0.13 3.68 0.19 0.04 0.05 0.04 0.00 95.90 0.11 87 R E E 98.01 8.42 15.86 25.69 120.43 -166.67 -112.94 132.35 5.01 94.77 0.22 4.31 0.35 0.08 0.08 0.07 0.00 95.01 0.10 88 E E E 75.96 9.52 14.19 25.26 121.06 -161.14 -112.62 133.52 5.06 94.61 0.33 4.43 0.34 0.11 0.13 0.11 0.00 94.71 0.17 89 V E E 58.26 7.90 14.38 24.30 119.76 -163.66 -111.86 131.59 10.75 88.62 0.63 9.47 0.82 0.29 0.26 0.24 0.00 88.59 0.32 90 T E E 60.91 7.18 11.63 20.79 119.25 -154.86 -106.10 136.45 29.20 69.67 1.13 25.35 2.63 0.78 0.49 0.53 0.00 69.47 0.75 91 K C C 102.26 4.94 9.93 16.86 115.34 -139.31 -93.58 134.30 56.69 39.40 3.91 45.59 6.70 3.11 1.32 2.31 0.00 39.77 1.20 92 R C T 170.04 2.12 8.98 12.62 105.66 -122.93 -70.52 131.16 78.12 11.32 10.55 29.46 19.23 30.32 2.52 7.30 0.02 10.09 1.06 93 R C T 197.61 0.60 9.75 9.73 98.66 15.15 -45.09 3.06 85.30 3.51 11.19 27.73 19.85 38.32 2.70 7.93 0.01 2.71 0.74 94 N C C 96.40 3.17 7.70 12.51 118.46 59.37 -112.86 132.75 88.34 3.80 7.86 35.66 24.08 29.17 1.61 5.96 0.00 2.68 0.83 95 R C C 183.33 1.50 9.68 12.32 99.32 -133.34 -72.39 22.87 88.81 9.46 1.73 37.21 24.73 26.78 0.28 1.46 0.00 8.87 0.67 96 R C E 131.98 3.55 9.61 15.16 118.03 127.64 -95.32 140.84 54.32 45.02 0.66 39.88 11.65 2.82 0.14 0.57 0.00 43.54 1.40 97 V E E 88.57 6.14 10.14 18.20 119.28 -149.27 -105.07 133.94 37.30 62.51 0.19 32.43 2.73 0.50 0.05 0.12 0.00 63.71 0.46 98 R E E 115.33 6.42 12.47 20.79 122.20 -163.77 -113.64 138.48 17.25 82.63 0.13 14.34 1.51 0.31 0.03 0.07 0.00 83.51 0.23 99 H E E 110.72 7.47 13.12 22.33 121.26 -153.68 -112.06 135.03 8.39 91.54 0.07 7.17 0.72 0.13 0.02 0.03 0.00 91.75 0.18 100 A E E 40.13 10.07 13.63 25.30 124.85 -172.16 -120.99 142.02 7.48 92.49 0.04 6.57 0.50 0.06 0.01 0.02 0.00 92.74 0.11 101 K E E 115.50 7.16 15.96 24.71 121.29 -150.80 -110.09 137.58 7.48 92.48 0.04 6.64 0.43 0.05 0.01 0.02 0.00 92.70 0.15 102 S E E 34.73 12.87 14.57 28.26 129.43 -174.72 -127.92 148.87 12.58 87.36 0.06 11.84 0.55 0.08 0.02 0.04 0.00 86.41 1.06 103 K E E 106.21 8.48 17.39 26.82 117.91 -137.26 -103.01 133.99 34.18 65.73 0.09 29.43 3.51 0.35 0.02 0.07 0.00 66.02 0.61 104 G E E 21.63 12.51 16.36 29.30 121.20 -134.01 -83.99 168.06 46.49 53.43 0.08 33.33 10.90 0.67 0.01 0.08 0.00 54.66 0.36 105 D E E 66.40 11.12 20.00 31.02 113.59 -109.58 -89.15 128.32 31.13 68.80 0.06 26.36 3.37 0.25 0.01 0.06 0.00 69.59 0.36 106 L E E 31.63 17.03 19.04 35.91 131.61 -163.32 -128.01 148.35 7.33 92.65 0.02 6.56 0.54 0.04 0.00 0.01 0.00 92.64 0.20 107 T E E 12.21 19.20 20.61 40.04 120.65 -142.08 -105.88 137.00 2.54 97.46 0.00 2.38 0.08 0.00 0.00 0.00 0.00 97.49 0.04 108 I E E 26.21 15.43 24.99 40.69 120.32 -157.14 -112.89 129.77 1.24 98.76 0.00 1.11 0.04 0.00 0.00 0.00 0.00 98.83 0.02 109 L E E 5.02 24.80 20.62 45.76 118.91 -161.83 -108.28 127.39 1.03 98.97 0.00 1.00 0.02 0.00 0.00 0.00 0.00 98.98 0.01 110 R E E 70.59 10.99 27.05 38.44 119.03 -161.48 -110.51 127.63 0.93 99.07 0.00 0.91 0.02 0.00 0.00 0.00 0.00 99.05 0.02 111 I E E 8.15 24.21 15.83 40.78 111.42 -141.21 -88.54 121.27 0.87 99.13 0.00 0.87 0.01 0.00 0.00 0.00 0.00 99.10 0.02 112 S E E 48.82 6.62 22.84 30.26 100.92 175.09 -95.60 -32.30 5.73 94.26 0.01 3.67 1.39 0.07 0.00 0.01 0.00 94.84 0.02 113 E E E 87.27 5.39 24.76 30.81 138.71 1.62 -152.57 149.51 3.22 96.76 0.02 2.18 0.63 0.07 0.00 0.01 0.00 97.10 0.02 114 L E E 21.46 23.85 12.87 36.14 123.40 -163.30 -125.70 129.19 3.28 96.71 0.01 2.92 0.18 0.02 0.00 0.00 0.00 96.79 0.08 115 S E E 50.79 6.13 22.96 29.44 125.90 -174.05 -124.50 140.77 10.80 89.17 0.02 9.90 0.55 0.05 0.01 0.01 0.00 88.98 0.50 116 M E E 74.41 14.93 11.89 26.33 117.70 -152.10 -104.49 130.67 46.38 53.53 0.09 43.62 1.07 0.28 0.02 0.07 0.00 54.10 0.85 117 N C C 110.29 3.85 16.80 21.61 104.35 -146.55 -87.73 73.48 99.75 0.25 0.00 99.61 0.14 0.05 0.00 0.00 0.00 0.18 0.01