# 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 128.52 3.49 10.73 16.04 119.22 -159.11 -104.36 134.29 99.55 0.44 0.01 99.60 0.07 0.03 0.00 0.00 0.00 0.27 0.03 1 L C C 115.26 3.76 8.06 13.92 117.28 -155.88 -100.75 135.07 73.49 24.81 1.70 71.58 0.94 1.09 0.91 0.56 0.00 21.39 3.53 2 K C C 155.96 1.72 8.99 12.34 118.06 -157.48 -104.77 133.12 64.94 30.88 4.18 53.40 7.10 3.55 1.93 2.23 0.01 28.48 3.29 3 F C C 142.52 4.51 7.21 13.63 118.53 -158.09 -103.55 133.73 67.57 25.05 7.38 51.42 10.46 5.36 3.28 3.76 0.01 23.73 1.97 4 D C C 113.54 2.00 11.01 13.97 113.70 -157.97 -102.37 120.41 68.67 23.51 7.82 51.64 10.99 5.48 3.71 3.58 0.01 23.12 1.47 5 I C C 107.05 6.55 8.37 16.56 118.53 -158.90 -103.45 132.45 59.97 28.43 11.61 48.26 6.97 3.71 7.38 4.07 0.02 27.68 1.90 6 Q C C 120.02 3.71 12.15 17.48 120.16 -164.25 -112.35 135.26 49.50 38.09 12.41 39.50 5.88 3.34 8.46 4.06 0.02 36.60 2.13 7 H E E 125.27 5.94 11.33 18.88 117.35 -145.85 -99.51 131.49 42.91 43.41 13.68 33.18 5.92 3.66 9.51 4.62 0.04 40.38 2.70 8 F C E 116.38 6.54 12.04 20.01 116.70 -165.32 -109.25 129.56 46.84 40.18 12.97 35.12 7.56 4.10 9.24 4.46 0.05 36.31 3.16 9 A C C 58.56 8.54 10.82 20.49 115.14 -140.82 -91.54 135.53 53.23 34.10 12.67 38.63 9.30 5.36 8.23 4.90 0.05 30.91 2.61 10 H C C 133.83 4.01 12.93 18.26 108.86 -161.84 -92.33 48.47 58.67 29.44 11.89 34.87 17.00 7.92 6.83 5.17 0.14 24.75 3.32 11 K C C 129.49 4.87 11.98 18.24 114.77 43.43 -95.97 132.82 66.63 23.04 10.33 39.80 18.41 9.39 5.20 5.11 0.08 18.03 3.98 12 K C C 140.33 4.11 12.18 17.99 110.62 -119.49 -84.02 127.71 79.92 12.91 7.17 38.37 20.17 22.30 2.49 4.31 0.02 9.94 2.40 13 G C C 48.48 5.28 11.80 18.59 113.10 12.82 -91.10 159.13 87.85 7.32 4.83 35.49 24.97 28.10 1.01 3.71 0.00 4.99 1.72 14 G C C 50.43 4.54 12.54 18.47 114.09 -117.75 -94.51 158.09 87.61 7.76 4.63 40.99 25.60 21.31 0.89 3.95 0.00 4.90 2.35 15 G C C 45.62 5.22 12.07 18.82 118.68 28.31 102.77 174.88 86.27 9.30 4.43 43.68 26.80 16.22 0.89 3.81 0.00 5.76 2.83 16 S C C 75.00 4.90 12.47 18.83 112.88 -95.44 -94.12 138.97 79.97 13.44 6.59 50.17 19.00 10.50 1.99 4.87 0.01 7.95 5.50 17 T C C 79.82 6.11 11.30 18.88 112.65 -138.84 -94.94 132.61 77.86 11.08 11.06 45.25 19.25 13.73 3.33 7.72 0.02 6.44 4.26 18 S C C 82.49 3.55 12.00 17.01 102.30 -117.31 -81.18 4.23 78.90 6.99 14.10 30.04 21.87 28.37 3.52 9.64 0.03 3.89 2.64 19 N C T 105.78 4.14 12.68 18.04 100.26 59.13 -91.36 14.20 83.98 3.70 12.33 24.03 25.35 35.58 2.83 8.60 0.02 1.96 1.64 20 G C C 45.73 5.63 12.78 19.67 101.64 -98.80 83.49 6.93 86.91 4.82 8.27 36.81 27.97 22.74 1.78 6.22 0.01 2.51 1.95 21 R C C 120.10 6.81 12.53 20.89 117.42 129.75 -94.11 143.10 78.16 11.57 10.27 51.89 16.63 9.28 3.91 6.38 0.02 6.00 5.90 22 D C C 84.76 7.06 13.46 21.67 110.82 -123.33 -84.47 125.88 79.33 8.08 12.59 57.97 12.05 8.77 5.04 7.86 0.00 4.81 3.50 23 S C C 59.60 8.85 12.54 22.21 104.95 -162.33 -82.69 4.52 59.85 4.00 36.14 33.90 12.62 14.21 9.29 26.20 0.02 2.22 1.52 24 E C G 127.60 4.25 15.64 20.90 100.56 72.03 -80.81 -10.24 52.25 3.66 44.09 19.34 13.37 21.30 10.58 31.86 0.11 2.02 1.42 25 S C G 53.82 9.23 14.67 24.75 106.77 79.43 -86.05 86.76 52.72 4.45 42.83 25.76 12.56 16.22 9.76 31.60 0.05 2.62 1.42 26 K C C 87.02 12.04 16.10 28.28 113.28 78.49 -93.76 123.92 65.79 11.41 22.80 42.83 14.72 8.95 7.56 15.16 0.02 8.06 2.69 27 R C C 102.47 11.82 19.58 31.29 121.79 -128.70 -106.23 138.61 63.71 30.97 5.32 48.94 10.46 3.64 2.78 2.86 0.02 24.50 6.80 28 L C C 47.59 17.00 18.95 35.38 120.21 -148.69 -102.59 138.67 54.63 44.36 1.01 44.19 7.71 1.68 0.39 0.64 0.00 42.52 2.88 29 G E E 13.88 15.41 21.58 36.51 137.86 139.17 -133.61 171.92 26.25 72.74 1.01 20.74 4.93 1.32 0.42 0.59 0.00 70.10 1.89 30 A E E 25.35 18.64 18.21 36.19 121.17 -92.34 -97.53 142.43 15.23 83.24 1.53 12.68 2.05 0.80 0.89 0.64 0.01 81.55 1.38 31 K E E 104.94 9.80 21.45 31.44 109.42 -155.66 -97.39 79.46 14.91 83.06 2.04 10.42 3.42 1.52 1.11 0.85 0.01 81.07 1.60 32 R E E 91.89 12.59 17.19 29.79 127.15 29.29 -120.88 141.69 37.30 60.11 2.58 33.39 2.46 1.39 1.25 1.34 0.00 56.67 3.50 33 A C C 45.96 9.52 16.22 26.56 120.22 -140.97 -90.12 154.97 83.38 8.94 7.67 79.96 1.99 1.92 0.75 6.64 0.00 7.78 0.95 34 D C T 105.72 4.97 14.97 21.23 105.03 -56.42 -53.61 119.07 90.70 1.29 8.02 0.67 4.80 85.85 0.28 7.43 0.00 0.84 0.14 35 G C T 53.70 3.22 16.09 20.07 95.23 3.81 84.24 -2.45 91.85 0.65 7.50 1.19 5.83 84.92 0.11 7.38 0.00 0.51 0.06 36 Q C C 83.17 7.52 15.17 24.38 122.01 126.08 -91.02 148.47 87.85 12.11 0.04 80.54 6.80 0.17 0.00 0.05 0.00 12.06 0.39 37 F E E 117.12 7.51 20.04 28.42 116.51 -123.93 -87.17 135.44 6.09 93.90 0.00 6.22 0.15 0.01 0.00 0.00 0.00 91.94 1.68 38 V E E 10.55 23.18 12.43 35.57 123.53 -165.34 -115.68 140.40 1.56 98.44 0.00 1.72 0.02 0.00 0.00 0.00 0.00 96.16 2.11 39 T C C 74.64 4.28 24.38 28.83 125.53 -148.52 -104.23 153.04 60.61 39.38 0.01 60.98 0.53 0.03 0.00 0.01 0.00 37.51 0.93 40 G C T 34.00 13.07 15.95 28.98 109.35 -84.37 -59.24 135.66 98.90 0.96 0.14 0.13 2.54 96.67 0.00 0.08 0.00 0.51 0.06 41 G C T 39.50 6.38 21.10 28.30 96.76 23.78 88.61 -5.40 99.51 0.40 0.08 0.32 3.39 95.89 0.00 0.07 0.00 0.31 0.01 42 S C C 32.57 12.16 19.82 32.81 117.34 126.63 -75.88 146.08 88.12 11.85 0.03 85.23 2.67 0.08 0.00 0.03 0.00 11.51 0.47 43 I E E 46.26 16.21 21.92 37.80 111.05 -118.64 -80.05 124.76 3.29 96.70 0.01 3.30 0.10 0.01 0.00 0.00 0.00 95.32 1.28 44 L E E 8.54 23.61 21.70 45.01 101.27 176.47 -93.00 -32.91 2.82 97.18 0.01 2.05 0.63 0.04 0.00 0.00 0.00 97.21 0.05 45 Y E E 23.08 19.59 23.55 42.52 140.77 1.61 -152.00 150.80 4.40 95.57 0.03 3.55 0.66 0.09 0.01 0.02 0.00 95.50 0.17 46 R E E 80.47 14.36 22.01 35.75 121.89 -152.56 -110.18 134.00 18.30 81.49 0.21 15.89 2.00 0.34 0.06 0.13 0.00 81.08 0.51 47 Q C C 49.11 15.83 16.48 32.18 114.05 -135.70 -88.39 132.15 57.70 40.19 2.11 38.54 13.96 6.08 0.34 1.91 0.00 37.53 1.65 48 R C T 132.44 7.71 16.74 25.36 110.18 -132.95 -79.24 128.24 78.58 19.07 2.35 24.55 24.92 30.31 0.24 2.29 0.00 15.78 1.89 49 G C S 50.10 3.78 17.11 21.42 103.01 16.70 88.99 -5.43 90.98 7.78 1.24 27.40 33.20 30.54 0.09 1.50 0.00 6.42 0.85 50 T C C 56.23 12.63 12.00 25.10 118.06 117.14 -93.49 136.95 88.07 10.96 0.97 70.78 13.34 3.63 0.16 0.99 0.00 9.20 1.89 51 K C C 137.05 4.10 20.11 24.91 105.34 -141.79 -90.38 52.93 80.48 18.88 0.64 53.72 24.18 3.06 0.12 0.62 0.00 15.42 2.88 52 I C C 29.58 20.48 11.86 31.80 119.21 89.89 -105.72 132.73 61.85 37.76 0.38 48.12 12.72 0.99 0.16 0.26 0.00 22.89 14.86 53 Y C C 120.04 6.11 21.62 28.32 117.44 -152.23 -104.21 130.71 88.23 11.68 0.09 83.49 4.65 0.39 0.02 0.07 0.00 9.54 1.84 54 P C T 64.87 13.47 14.48 27.91 111.92 -106.53 -64.31 140.49 89.49 8.81 1.70 22.26 19.11 48.60 0.22 1.63 0.00 6.64 1.54 55 G C T 37.59 6.86 18.13 25.98 122.11 48.71 109.46 -169.63 92.66 5.38 1.96 15.88 27.92 49.05 0.19 2.01 0.00 3.60 1.34 56 T C T 93.36 3.84 20.75 24.81 101.15 -39.59 -81.43 -17.73 92.46 5.52 2.02 6.15 38.40 48.55 0.13 1.90 0.00 3.73 1.12 57 N C T 48.31 15.27 17.61 32.44 99.27 35.62 -96.35 3.16 86.93 12.41 0.66 13.19 25.77 48.07 0.04 0.77 0.00 11.64 0.52 58 V E E 17.46 22.16 14.52 36.28 125.67 84.71 -112.73 141.01 13.32 86.66 0.03 11.51 1.22 0.08 0.00 0.01 0.00 86.70 0.48 59 G E E 21.85 8.47 24.01 33.17 141.11 166.69 -150.35 175.58 0.73 99.27 0.00 0.65 0.03 0.00 0.00 0.00 0.00 99.26 0.05 60 R E E 121.31 10.93 17.25 28.89 123.33 -106.37 -112.55 140.07 1.68 98.32 0.00 1.67 0.05 0.00 0.00 0.00 0.00 97.89 0.39 61 G C C 21.42 12.22 12.40 25.36 125.19 -146.30 -90.02 175.71 82.08 17.85 0.08 79.81 1.33 0.21 0.01 0.06 0.00 18.01 0.58 62 G C T 61.97 1.24 16.11 16.82 94.86 -84.62 -62.91 -28.45 93.60 2.37 4.04 1.98 16.59 74.34 0.08 4.88 0.00 1.73 0.40 63 D C T 98.63 3.60 16.09 20.46 95.86 46.97 -90.11 8.78 96.20 0.24 3.56 0.87 12.45 81.91 0.05 4.52 0.00 0.14 0.07 64 D C S 59.98 12.28 15.94 28.59 93.97 -105.88 71.33 21.02 94.87 1.59 3.54 11.08 55.79 26.95 0.11 4.58 0.00 1.18 0.31 65 T C C 22.31 13.48 20.38 35.08 122.05 135.40 -92.24 145.19 55.46 44.52 0.02 54.32 1.11 0.08 0.00 0.01 0.00 43.73 0.75 66 L E E 3.67 25.21 19.60 45.76 115.90 -127.59 -91.09 132.23 0.32 99.68 0.00 0.33 0.00 0.00 0.00 0.00 0.00 99.64 0.03 67 F E E 45.21 12.71 27.15 40.36 129.18 -171.01 -125.03 144.22 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.89 0.01 68 A E E 5.31 23.88 15.04 39.62 112.98 -115.32 -77.88 132.98 6.99 93.01 0.00 7.23 0.09 0.00 0.00 0.00 0.00 92.30 0.37 69 K C S 105.72 6.17 23.43 30.35 95.96 -160.96 -88.92 -16.53 93.34 6.56 0.11 19.28 66.17 7.45 0.01 0.14 0.00 6.72 0.24 70 T C S 50.13 6.95 21.86 29.69 136.45 31.58 -136.79 160.45 92.86 7.00 0.14 2.67 83.03 7.24 0.00 0.13 0.00 6.62 0.31 71 D C C 83.86 7.06 21.81 29.42 113.27 -93.61 -67.46 139.52 92.58 7.30 0.12 56.54 31.96 3.42 0.01 0.18 0.00 7.64 0.26 72 G E E 10.22 11.24 20.79 34.02 143.37 96.06 167.18 -171.86 17.04 82.95 0.01 15.09 1.69 0.08 0.00 0.01 0.00 82.47 0.65 73 V E E 41.45 10.13 24.72 36.18 124.19 -67.51 -116.85 138.51 0.73 99.27 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.23 0.06 74 V E E 5.50 25.22 16.35 42.34 117.52 -147.58 -102.35 129.56 0.49 99.51 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 75 R E E 82.21 9.02 26.06 35.42 123.97 -169.74 -119.25 137.79 0.66 99.34 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.39 0.01 76 F E E 27.79 21.66 15.10 36.40 124.11 -157.68 -113.18 137.39 1.09 98.91 0.00 0.97 0.02 0.00 0.00 0.00 0.00 98.97 0.03 77 E E E 81.18 6.49 20.98 28.24 127.70 -175.16 -127.58 144.45 1.08 98.91 0.00 0.93 0.05 0.00 0.00 0.00 0.00 98.99 0.03 78 R E E 118.92 9.32 12.68 23.19 114.17 -125.34 -87.86 126.99 6.05 93.93 0.03 5.18 0.48 0.07 0.00 0.02 0.00 94.01 0.23 79 M E E 95.93 5.87 12.12 19.53 106.40 -176.84 -105.15 19.83 38.73 60.94 0.33 28.21 6.97 2.49 0.03 0.34 0.00 61.51 0.45 80 G C T 44.56 2.02 13.09 15.52 128.34 -48.03 138.69 -169.68 65.22 32.64 2.14 10.63 24.88 31.97 0.12 2.20 0.00 28.98 1.22 81 R C T 196.14 0.79 11.21 11.69 99.85 -30.15 -61.99 -5.77 97.47 0.48 2.06 3.56 22.97 70.57 0.08 2.37 0.00 0.32 0.14 82 D C T 122.91 1.75 11.37 13.95 98.58 -0.06 -94.54 15.59 97.07 1.16 1.77 5.74 27.44 63.63 0.07 2.05 0.00 0.85 0.22 83 K E E 98.97 5.94 12.56 20.37 122.21 97.87 -114.70 138.60 38.55 61.24 0.20 30.61 6.05 1.53 0.03 0.20 0.00 60.73 0.86 84 K E E 72.14 12.62 12.90 26.33 125.75 -168.46 -120.61 142.10 14.20 85.78 0.02 13.22 0.48 0.05 0.00 0.01 0.00 86.08 0.16 85 K E E 80.41 9.24 20.70 30.72 125.61 -161.74 -121.24 140.20 2.07 97.92 0.00 1.83 0.10 0.01 0.00 0.00 0.00 98.01 0.05 86 V E E 19.95 20.37 16.75 37.25 123.49 -160.97 -118.27 135.56 0.88 99.11 0.00 0.80 0.03 0.00 0.00 0.00 0.00 99.15 0.01 87 S E E 26.92 10.54 24.40 35.84 128.78 -169.32 -122.21 147.08 1.42 98.58 0.00 1.23 0.07 0.01 0.00 0.00 0.00 98.68 0.02 88 V E E 19.64 21.12 17.16 38.41 120.90 -150.12 -113.39 131.37 3.82 96.17 0.01 3.46 0.20 0.01 0.00 0.00 0.00 96.18 0.15 89 Y E E 77.33 10.20 21.49 32.33 122.47 -170.42 -122.33 131.72 20.82 79.15 0.03 19.07 1.06 0.06 0.01 0.02 0.00 79.48 0.30 90 P E E 56.93 11.16 16.91 28.58 113.91 -113.94 -68.62 148.31 33.15 65.29 1.56 27.18 5.09 1.70 0.42 1.12 0.00 63.32 1.17 91 E C C 94.03 10.01 13.91 24.64 111.60 -116.65 -84.73 130.95 76.91 10.37 12.71 60.40 9.76 6.43 2.82 10.22 0.00 8.90 1.46 92 V C C 90.51 6.39 11.25 19.13 113.24 -150.28 -93.70 132.26 75.17 7.94 16.89 48.53 16.28 10.61 3.50 13.57 0.01 6.00 1.51 93 Q C C 124.95 3.44 10.47 15.72 114.16 -145.23 -95.52 131.71 74.36 9.08 16.56 48.58 15.50 10.52 3.74 12.86 0.01 6.92 1.85 94 E C C 142.02 2.60 9.96 14.43 112.82 -127.67 -89.78 129.77 85.47 6.67 7.86 79.64 1.65 5.39 2.42 4.28 0.00 4.76 1.85 95 A C C 72.84 5.78 10.00 17.30 111.78 -116.67 -79.56 130.54 99.94 0.04 0.02 99.87 0.06 0.04 0.01 0.00 0.00 0.02 0.00