# 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 M C C 120.88 5.03 14.19 20.71 117.17 -149.28 -100.01 129.50 98.87 1.13 0.01 98.99 0.11 0.02 0.00 0.00 0.00 0.84 0.04 1 V C C 65.75 10.38 10.09 21.50 122.88 -168.83 -116.08 136.56 55.13 44.73 0.14 54.58 0.61 0.32 0.05 0.07 0.00 41.89 2.47 2 N E E 117.07 2.19 15.63 18.61 113.28 -141.87 -97.18 123.56 44.10 55.71 0.19 37.14 5.07 0.85 0.06 0.17 0.00 51.65 5.06 3 V C C 52.03 14.32 9.24 23.58 120.46 -166.51 -109.16 133.11 64.27 35.67 0.05 57.79 6.01 0.18 0.01 0.05 0.00 34.47 1.49 4 P C C 57.33 6.78 13.65 22.38 114.33 -109.14 -65.36 149.22 77.81 21.38 0.81 72.37 3.55 1.36 0.15 0.66 0.00 20.57 1.34 5 K C S 148.13 3.46 13.75 18.88 95.13 -129.89 -71.90 -24.82 84.81 10.03 5.16 16.86 54.77 12.88 0.35 4.88 0.00 9.29 0.97 6 T C E 80.95 4.37 15.16 20.84 125.73 30.12 -129.06 145.58 60.27 32.96 6.76 23.58 26.70 11.96 0.40 5.96 0.00 29.98 1.42 7 K E E 87.08 10.53 12.95 24.51 127.38 -171.77 -129.13 143.89 45.86 49.51 4.63 36.76 7.07 2.04 0.33 4.40 0.00 48.46 0.94 8 K E E 111.73 7.59 15.82 24.68 118.61 -137.36 -98.45 135.16 24.48 75.43 0.09 22.79 1.11 0.13 0.02 0.05 0.00 75.35 0.55 9 T E E 43.31 11.40 14.72 27.44 130.88 -174.96 -133.19 152.87 5.84 94.14 0.02 5.49 0.28 0.03 0.00 0.01 0.00 93.20 0.98 10 Y E E 117.10 7.08 16.82 25.08 119.53 -123.08 -99.68 137.61 12.12 87.81 0.07 11.08 0.99 0.13 0.02 0.04 0.00 86.52 1.21 11 C C C 22.81 14.75 9.51 25.01 119.56 -144.52 -103.57 138.94 67.77 32.08 0.15 62.26 3.52 0.45 0.03 0.13 0.00 32.61 0.99 12 K C S 154.52 1.81 15.90 17.84 96.90 -142.62 -79.31 -15.87 90.64 8.84 0.53 34.14 51.79 4.91 0.08 0.49 0.00 7.79 0.80 13 N C S 70.25 5.30 10.27 17.49 121.04 86.33 -97.28 152.13 92.52 4.13 3.35 13.92 66.02 12.93 0.63 2.42 0.00 2.23 1.84 14 K C T 163.06 1.54 11.38 13.99 92.94 -119.59 -63.71 -31.59 77.56 0.66 21.78 3.17 16.73 56.57 1.42 21.38 0.01 0.33 0.40 15 E C T 144.80 1.48 12.55 14.29 94.78 53.80 -73.25 -22.19 76.33 1.13 22.54 3.47 12.25 58.58 1.52 22.95 0.01 0.65 0.56 16 C C T 48.28 9.78 8.50 19.14 102.56 44.90 -95.95 14.21 65.52 9.11 25.37 22.76 13.92 30.36 2.21 22.51 0.04 6.02 2.19 17 K C C 136.42 3.48 13.19 18.23 97.92 140.06 -64.50 -14.61 79.55 16.24 4.21 36.46 18.14 26.10 0.88 3.31 0.01 13.40 1.69 18 K C E 128.34 2.70 16.98 20.24 122.13 63.84 -103.05 139.50 63.53 33.39 3.08 25.72 18.55 20.36 0.37 2.85 0.01 29.81 2.33 19 H E E 70.19 15.83 10.35 25.56 121.45 -149.54 -100.62 140.58 46.80 52.76 0.44 41.24 4.66 0.70 0.09 0.34 0.00 51.89 1.09 20 T E E 62.01 5.98 19.36 26.37 127.08 -169.61 -125.52 145.37 10.48 89.46 0.06 9.97 0.45 0.05 0.03 0.03 0.00 87.67 1.81 21 L E E 81.55 10.88 15.87 27.40 115.02 -110.42 -74.24 138.93 9.27 90.67 0.06 8.53 0.49 0.05 0.03 0.03 0.00 89.22 1.66 22 H E E 48.20 14.45 14.12 29.24 127.99 -167.26 -120.42 150.93 29.93 69.89 0.18 26.22 2.71 0.25 0.05 0.11 0.00 70.13 0.53 23 K E E 125.17 4.39 20.38 25.59 118.12 -132.66 -100.06 134.10 28.81 70.91 0.29 25.55 2.27 0.25 0.11 0.17 0.00 69.47 2.18 24 V E E 34.64 18.32 10.64 28.43 114.38 -139.48 -91.15 129.12 31.84 67.65 0.51 30.89 1.01 0.18 0.25 0.23 0.00 65.87 1.58 25 T E E 80.19 4.13 18.47 23.22 104.95 -172.15 -102.63 -25.77 36.18 63.37 0.45 24.71 10.81 0.69 0.14 0.28 0.00 62.79 0.58 26 Q E E 102.07 4.86 17.49 23.47 129.25 2.45 -140.30 142.98 19.66 79.81 0.52 16.06 3.26 0.53 0.16 0.32 0.00 78.59 1.08 27 Y E E 87.61 15.17 10.54 25.22 124.21 -164.35 -119.17 138.36 21.30 78.19 0.51 19.48 1.34 0.29 0.28 0.26 0.00 76.07 2.27 28 K C C 110.24 5.04 14.92 21.26 118.78 -143.46 -98.84 140.46 55.64 43.03 1.33 43.20 9.49 3.01 0.42 0.99 0.00 40.61 2.28 29 K C T 144.74 3.66 12.87 18.32 111.04 -106.81 -72.28 137.00 81.79 13.96 4.25 22.25 23.57 36.82 0.86 3.16 0.01 11.68 1.64 30 G C T 49.78 4.18 13.09 18.37 108.42 29.08 86.22 -10.30 90.01 4.65 5.34 24.69 29.13 36.94 1.04 4.00 0.00 3.05 1.16 31 K C C 128.83 5.00 12.31 18.57 108.59 44.95 -89.90 75.75 81.54 6.23 12.23 43.06 26.86 12.41 4.84 6.89 0.02 3.36 2.56 32 D C C 95.31 5.36 13.33 19.88 105.99 72.08 -87.83 44.03 78.40 6.12 15.48 48.15 18.98 11.48 8.39 7.09 0.02 3.72 2.17 33 S C C 48.52 8.40 12.76 22.44 117.61 87.60 -96.63 140.56 67.18 8.64 24.18 46.32 11.97 8.66 15.83 8.63 0.03 5.68 2.89 34 L C H 87.18 9.35 13.45 23.40 97.67 -128.85 -73.34 -20.41 48.80 11.18 40.02 24.62 11.20 14.34 25.27 13.70 0.25 7.85 2.76 35 S C H 64.28 6.61 14.45 22.11 99.16 66.18 -78.30 -13.82 46.90 12.50 40.60 21.90 10.59 15.78 25.35 14.26 0.33 9.18 2.60 36 A C C 58.50 7.19 13.32 21.70 99.90 71.71 -80.45 -8.31 49.81 12.56 37.63 26.01 10.91 14.01 24.28 12.81 0.28 9.10 2.59 37 Q C C 107.39 6.35 13.63 21.04 107.12 75.37 -88.40 55.21 60.07 10.94 28.99 24.64 13.77 22.23 21.39 7.38 0.26 7.82 2.51 38 G C C 36.45 7.50 13.16 21.87 120.15 -121.68 105.35 176.64 73.00 8.77 18.23 31.50 18.22 23.90 12.12 5.93 0.11 6.26 1.96 39 K C C 132.62 4.83 13.87 20.04 113.02 -83.40 -92.13 132.12 60.41 14.98 24.61 36.23 14.02 10.04 17.91 7.14 0.12 11.83 2.70 40 R C C 125.68 7.57 12.08 20.92 117.56 -144.16 -99.47 136.34 44.82 25.90 29.28 28.56 9.35 7.33 21.46 8.14 0.19 21.53 3.43 41 R C E 132.49 6.47 13.53 21.32 112.87 -147.86 -94.17 127.98 38.58 30.57 30.85 25.65 7.18 6.39 22.71 8.69 0.14 25.82 3.43 42 Y C C 101.58 9.21 11.43 21.80 118.79 -154.75 -107.08 135.06 40.36 26.37 33.27 25.45 8.53 7.11 25.11 8.35 0.17 22.05 3.22 43 D C C 76.55 5.59 13.01 20.15 111.73 -150.36 -95.98 119.13 52.46 17.66 29.88 35.74 8.93 7.54 22.46 7.94 0.07 15.21 2.11 44 R C C 138.15 6.32 11.16 18.85 100.26 -155.32 -78.80 -5.60 47.38 14.01 38.60 27.92 9.38 10.81 26.34 11.88 0.16 11.22 2.31 45 K C C 143.23 2.42 11.82 15.37 99.79 81.39 -78.08 -15.41 50.19 13.91 35.90 28.56 9.78 12.46 23.55 11.97 0.21 10.49 2.98 46 Q C C 116.04 4.03 9.94 15.50 104.96 73.22 -87.61 27.42 55.91 14.37 29.72 29.64 13.56 13.72 18.58 10.46 0.41 9.13 4.50 47 S C T 74.99 4.01 10.12 15.57 109.82 94.65 -93.40 102.50 73.82 7.68 18.51 24.72 21.15 28.91 9.51 8.12 0.16 4.58 2.86 48 G C T 55.27 2.27 11.16 14.56 108.01 -37.06 78.68 -12.30 85.65 2.97 11.39 18.15 26.47 41.77 2.92 7.69 0.02 1.69 1.30 49 Y C T 159.42 3.44 9.65 14.51 106.65 49.23 -94.16 54.83 79.71 7.16 13.13 23.26 23.26 34.23 3.13 9.07 0.07 3.72 3.26 50 G C T 53.13 2.74 11.36 15.42 108.04 -88.01 79.32 2.89 83.20 7.41 9.39 25.90 22.89 35.12 1.80 7.25 0.03 4.44 2.58 51 G C C 50.78 4.10 10.95 16.60 110.28 6.50 75.79 152.60 85.20 8.63 6.17 38.05 24.13 23.71 1.04 5.25 0.01 5.67 2.13 52 Q C C 110.88 4.75 11.24 17.64 116.55 38.55 -91.86 136.09 80.29 16.89 2.81 57.77 17.58 4.46 0.96 2.08 0.00 10.63 6.51 53 T C C 88.21 5.78 11.18 18.59 116.41 -148.33 -97.45 136.82 78.05 20.85 1.10 58.81 16.33 2.11 0.48 0.77 0.00 14.74 6.76 54 K C C 123.87 4.83 12.76 19.17 119.35 -145.17 -103.47 138.07 81.62 18.02 0.35 64.44 16.56 0.64 0.19 0.21 0.00 15.92 2.04 55 P C C 79.25 7.22 12.08 20.78 113.86 -108.24 -67.76 145.80 72.17 25.95 1.87 65.66 4.71 1.30 1.23 0.79 0.00 21.01 5.30 56 V C C 77.74 8.20 11.48 21.11 116.73 -143.28 -100.94 134.11 68.56 26.92 4.52 54.03 11.35 2.69 3.14 1.61 0.02 21.40 5.75 57 F C C 121.52 6.10 11.88 19.57 116.12 -146.54 -99.84 130.96 63.85 30.63 5.51 50.48 9.99 2.76 3.65 2.15 0.02 24.14 6.81 58 H C C 114.09 6.74 10.95 19.24 117.23 -160.07 -103.85 131.27 71.56 21.58 6.86 59.35 8.23 3.46 4.17 2.89 0.01 18.16 3.72 59 K C C 130.71 4.58 11.85 18.07 117.08 -150.86 -97.90 138.77 74.99 14.00 11.00 50.79 16.03 8.13 5.98 5.11 0.02 10.98 2.96 60 K C C 139.46 4.02 12.74 18.38 113.04 -119.40 -84.92 133.90 74.44 12.59 12.98 50.56 15.06 8.91 6.53 6.44 0.03 8.53 3.94 61 A C C 55.46 9.42 9.87 20.23 114.02 -130.21 -81.72 140.82 77.97 8.29 13.74 57.57 12.87 7.65 6.33 7.33 0.01 5.33 2.91 62 K C C 133.04 4.52 13.57 19.37 111.35 -134.15 -87.21 124.78 80.47 7.45 12.08 56.59 14.45 9.49 4.98 6.97 0.01 4.59 2.92 63 T C C 82.79 6.89 12.89 20.89 109.20 -151.54 -94.53 88.42 82.43 7.45 10.11 42.78 24.20 16.36 3.84 5.79 0.03 4.41 2.57 64 T C C 69.12 8.30 13.92 23.23 112.95 82.30 -97.68 121.98 83.41 10.63 5.97 46.02 23.59 14.41 2.14 3.73 0.02 7.56 2.52 65 K C C 97.97 9.35 16.06 26.05 116.14 -132.23 -95.76 132.08 80.76 18.18 1.06 50.91 26.70 3.49 0.22 0.87 0.00 16.32 1.49 66 K E E 78.44 11.85 17.38 29.62 123.40 -146.20 -109.43 141.67 46.93 52.90 0.18 40.28 5.07 0.52 0.03 0.14 0.00 53.14 0.81 67 I E E 27.00 16.38 17.65 34.85 119.50 -146.39 -106.24 130.84 7.96 92.04 0.01 7.72 0.27 0.02 0.00 0.00 0.00 91.72 0.27 68 V E E 33.20 12.43 21.28 34.90 119.28 -158.84 -111.29 129.65 1.95 98.05 0.00 1.80 0.05 0.00 0.00 0.00 0.00 98.12 0.02 69 L E E 15.43 19.75 18.11 38.32 120.24 -163.01 -110.27 132.85 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 70 K E E 68.11 10.21 23.65 34.39 117.39 -152.26 -104.64 127.74 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.80 0.00 71 L E E 11.53 21.39 16.34 37.96 124.49 -168.71 -117.70 140.44 0.30 99.70 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.00 72 Q E E 67.24 7.25 21.69 29.98 117.98 -153.60 -111.44 127.54 0.87 99.13 0.00 0.80 0.05 0.00 0.00 0.00 0.00 99.11 0.04 73 C E E 12.97 16.65 10.82 28.75 110.23 -142.52 -88.21 118.25 19.25 80.72 0.03 17.69 0.93 0.08 0.00 0.02 0.00 80.88 0.40 74 Q C T 119.67 3.18 15.59 19.99 94.51 -161.07 -70.23 -29.69 98.37 0.80 0.83 1.16 9.84 87.33 0.02 0.89 0.00 0.64 0.12 75 S C T 84.64 1.61 14.24 15.95 97.57 46.81 -75.54 -38.73 98.75 0.16 1.09 0.43 6.78 91.52 0.03 1.11 0.00 0.09 0.06 76 C C T 65.71 5.20 11.84 18.65 100.79 23.10 -104.38 -6.23 98.99 0.28 0.73 1.95 8.00 88.90 0.03 0.88 0.00 0.18 0.06 77 K C C 151.01 2.86 13.52 18.06 94.56 -127.25 61.48 29.57 95.06 4.47 0.48 55.16 7.47 32.22 0.07 0.44 0.00 4.11 0.54 78 H C C 90.89 5.47 13.86 21.21 124.77 134.59 -103.11 149.68 53.44 46.51 0.05 51.23 1.28 0.17 0.01 0.03 0.00 46.79 0.48 79 Y E E 115.79 11.56 13.18 25.54 126.52 -155.14 -123.69 141.29 2.58 97.41 0.01 2.54 0.10 0.02 0.00 0.01 0.00 97.15 0.18 80 S E E 41.17 8.85 17.62 27.92 132.93 -176.70 -136.46 153.01 1.27 98.71 0.02 1.22 0.08 0.02 0.00 0.01 0.00 98.59 0.07 81 Q E E 88.04 12.85 15.23 28.34 124.47 -141.51 -118.40 137.69 3.74 96.21 0.05 3.23 0.36 0.09 0.01 0.04 0.00 96.19 0.08 82 R E E 88.80 10.01 17.82 28.81 126.49 -172.45 -125.28 139.72 14.33 85.63 0.04 13.46 0.57 0.06 0.01 0.03 0.00 85.70 0.17 83 A E E 58.30 8.24 19.06 27.91 114.25 -115.70 -73.70 138.53 20.35 79.61 0.04 19.75 0.53 0.04 0.01 0.02 0.00 78.98 0.66 84 I E E 27.50 19.89 13.12 32.49 121.87 -160.58 -112.63 142.46 47.23 52.67 0.11 45.38 1.37 0.13 0.03 0.07 0.00 52.14 0.88 85 K E E 115.05 5.41 21.90 27.83 117.78 -125.61 -91.96 139.94 48.17 51.55 0.28 38.84 8.88 0.71 0.06 0.22 0.00 49.98 1.30 86 R E E 102.71 13.20 17.30 30.08 117.29 -116.02 -85.22 138.19 43.58 55.69 0.73 36.35 6.59 0.87 0.28 0.52 0.00 48.78 6.61 87 C C C 23.17 17.35 12.63 30.26 120.94 -139.41 -102.56 144.58 57.48 41.29 1.23 54.84 2.11 0.60 0.45 0.74 0.00 36.61 4.66 88 K C S 129.14 4.28 19.17 24.38 97.20 -148.89 -80.68 -27.74 77.58 20.88 1.54 19.37 47.65 11.06 0.24 1.18 0.01 19.34 1.15 89 H C E 94.51 6.83 19.24 27.05 132.50 14.69 -138.82 142.99 56.07 42.55 1.39 28.28 22.03 7.70 0.19 1.20 0.00 39.42 1.17 90 F E E 53.74 17.98 13.19 30.81 128.10 -170.94 -130.07 138.04 43.29 55.18 1.53 39.62 2.90 0.80 0.64 0.95 0.00 50.87 4.21 91 E E E 94.08 6.71 19.66 27.26 119.74 -157.11 -113.44 129.77 44.80 54.33 0.86 42.16 1.88 0.65 0.39 0.50 0.00 50.05 4.38 92 I C C 69.51 13.38 13.50 27.04 115.71 -157.95 -98.90 130.25 63.07 34.82 2.12 31.17 13.64 20.48 0.47 1.71 0.01 30.39 2.13 93 G C T 44.78 5.17 16.07 21.97 109.77 12.52 87.42 -51.20 84.16 13.41 2.44 22.13 30.15 32.43 0.36 2.07 0.01 11.44 1.41 94 G C S 39.68 6.21 13.93 21.25 122.98 45.20 100.91 -170.48 85.35 8.72 5.94 30.91 39.33 15.72 1.60 4.29 0.02 6.12 2.01 95 D C C 96.87 4.70 13.65 19.60 109.92 -60.49 -89.55 115.83 80.47 10.00 9.53 48.13 19.98 12.55 2.89 6.84 0.02 6.42 3.17 96 K C C 123.35 6.68 10.91 18.90 101.98 -139.83 -86.60 12.23 74.47 10.37 15.15 48.33 14.41 11.58 4.50 10.98 0.02 6.43 3.77 97 K C C 147.82 2.75 12.51 16.78 105.96 106.59 -79.77 110.52 78.44 6.76 14.79 37.43 16.87 25.22 3.78 10.39 0.03 4.13 2.15 98 G C C 50.70 4.22 12.50 18.04 103.72 19.53 82.65 1.40 82.33 4.99 12.69 35.09 20.58 27.53 2.78 9.42 0.02 2.78 1.81 99 K C C 124.66 5.40 11.51 18.43 108.31 119.55 -89.82 104.80 82.92 5.20 11.88 34.46 22.21 27.25 3.27 7.90 0.03 2.80 2.08 100 G C C 44.29 5.89 11.39 18.68 112.80 -10.38 87.68 152.13 83.70 5.14 11.16 32.48 23.18 28.96 2.20 8.44 0.01 3.00 1.73 101 T C C 93.29 4.31 11.22 16.99 109.15 -89.53 -92.28 122.21 76.29 10.35 13.36 47.00 17.06 12.63 2.88 10.58 0.01 7.18 2.67 102 S C C 75.21 4.14 10.51 16.34 111.70 75.59 -87.54 124.82 72.12 15.40 12.48 46.86 13.88 11.81 2.65 9.86 0.02 11.73 3.20 103 L C C 109.23 5.30 9.84 16.57 104.15 -125.67 -83.79 14.38 77.45 15.47 7.08 66.38 4.14 6.87 2.15 4.47 0.00 11.77 4.21 104 F C C 117.56 7.73 11.58 20.24 110.74 59.72 -94.65 109.62 99.13 0.82 0.05 99.00 0.21 0.10 0.02 0.01 0.00 0.58 0.08