# 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 92.98 8.41 11.92 21.54 118.98 -152.32 -96.77 138.09 99.97 0.03 0.00 99.85 0.13 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 86.50 4.75 11.88 18.24 111.34 -106.74 -68.29 149.42 90.58 0.91 8.51 85.05 1.19 6.05 2.11 4.69 0.00 0.52 0.39 2 S C C 80.70 3.90 10.34 15.97 105.08 -132.01 -82.85 23.25 77.91 2.48 19.62 43.76 15.49 18.32 3.79 16.17 0.00 1.30 1.16 3 E C C 129.59 4.18 11.74 17.39 103.72 69.88 -87.73 23.05 69.70 3.97 26.33 39.30 15.26 15.54 4.71 21.44 0.00 2.28 1.46 4 A C C 69.13 5.69 12.53 19.72 109.95 122.60 -82.55 123.60 70.97 4.32 24.71 28.90 16.40 27.30 5.04 18.28 0.03 2.53 1.52 5 G C C 38.82 8.31 14.85 23.85 112.16 21.18 87.78 101.08 78.97 8.08 12.95 35.02 17.09 28.17 2.11 10.30 0.01 5.98 1.33 6 H C C 82.15 11.34 15.88 27.64 119.27 126.24 -105.97 137.46 67.75 29.12 3.13 52.43 11.58 3.40 0.76 2.50 0.00 26.80 2.53 7 R E E 101.32 11.89 18.96 30.79 119.51 -146.21 -102.34 134.46 44.04 55.35 0.60 39.01 3.67 0.75 0.22 0.42 0.00 53.60 2.34 8 L E E 30.24 18.94 17.95 36.38 117.07 -154.72 -99.59 130.99 30.38 69.35 0.27 25.29 4.14 0.51 0.09 0.17 0.00 69.10 0.70 9 Y E E 80.21 13.68 22.22 35.37 129.50 -172.90 -128.22 142.41 13.92 85.95 0.13 11.35 2.14 0.25 0.03 0.08 0.00 85.78 0.36 10 V E E 16.28 20.92 18.34 39.16 129.83 -170.47 -132.22 142.26 8.35 91.61 0.04 7.61 0.54 0.06 0.01 0.02 0.00 91.47 0.28 11 K E E 91.88 9.54 25.03 34.79 120.45 -145.80 -100.89 136.16 7.58 92.40 0.03 6.58 0.56 0.06 0.00 0.01 0.00 92.64 0.14 12 G E E 6.55 20.04 18.00 38.05 142.89 154.74 -155.69 172.77 4.09 95.91 0.01 3.36 0.42 0.02 0.00 0.00 0.00 96.16 0.04 13 R E E 100.72 7.64 25.22 33.74 123.98 -90.82 -116.06 138.41 0.68 99.32 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.35 0.02 14 H E E 38.45 20.50 15.82 36.12 109.63 -119.16 -76.95 124.54 0.72 99.28 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.25 0.04 15 L E E 59.91 9.62 21.47 31.91 101.13 176.46 -96.83 -31.10 7.33 92.61 0.05 5.22 1.59 0.22 0.01 0.03 0.00 92.84 0.09 16 S E E 32.19 8.18 23.52 32.72 143.55 -13.76 -164.19 162.30 15.24 84.67 0.09 10.11 4.32 0.53 0.01 0.06 0.00 84.82 0.15 17 Y E E 65.49 19.18 14.72 32.90 131.11 -149.40 -135.94 145.61 21.75 77.88 0.37 19.63 1.86 0.35 0.15 0.19 0.00 76.17 1.64 18 Q E E 72.72 8.57 18.69 28.37 123.44 -155.32 -118.93 135.33 45.68 53.91 0.41 40.31 4.01 0.76 0.15 0.29 0.00 51.23 3.25 19 R C C 124.88 8.43 14.24 23.90 117.72 -142.57 -95.05 135.89 64.09 35.31 0.60 48.79 13.34 2.41 0.16 0.55 0.00 31.19 3.55 20 G C C 26.49 7.99 11.25 20.81 129.80 162.05 -125.59 172.67 81.84 17.26 0.90 61.89 15.18 4.41 0.23 0.86 0.00 13.66 3.77 21 R C S 187.23 1.42 11.81 13.80 95.80 -81.81 -67.20 -27.24 95.91 1.56 2.53 7.01 44.67 44.34 0.17 2.40 0.00 0.92 0.48 22 R C T 187.62 1.01 12.05 12.82 101.42 25.16 -93.76 -2.34 96.49 0.92 2.59 5.00 42.79 48.75 0.17 2.43 0.00 0.51 0.35 23 N C S 84.11 6.90 9.34 17.67 120.05 45.66 -114.17 130.35 81.62 15.96 2.42 19.55 42.99 19.64 0.30 2.36 0.00 11.47 3.69 24 T C C 93.99 4.16 12.64 18.29 101.14 -162.06 -88.64 -5.98 74.80 24.44 0.76 44.11 25.58 6.19 0.18 0.74 0.00 17.63 5.56 25 H C C 85.54 8.35 13.41 23.21 110.95 76.72 -107.39 105.69 75.76 23.97 0.27 56.59 18.37 1.25 0.07 0.26 0.00 19.58 3.89 26 P C T 64.48 9.13 15.54 25.98 101.36 -152.75 -67.89 -3.34 79.15 20.14 0.71 14.66 19.50 45.13 0.04 0.79 0.00 19.20 0.68 27 K C T 100.29 10.12 19.19 29.30 97.88 39.00 -87.55 21.21 72.75 26.73 0.53 13.69 18.43 39.27 0.02 0.61 0.00 27.60 0.36 28 T E E 26.75 14.84 19.39 34.93 126.46 110.83 -116.76 144.56 33.54 66.42 0.04 29.79 2.53 0.15 0.00 0.04 0.00 67.04 0.45 29 S E E 7.99 19.94 20.84 40.83 131.92 -172.35 -130.58 150.78 4.37 95.63 0.00 3.95 0.15 0.00 0.00 0.00 0.00 95.81 0.08 30 L E E 23.95 16.63 25.32 41.81 118.56 -137.78 -107.28 130.29 0.83 99.17 0.00 0.63 0.08 0.00 0.00 0.00 0.00 99.28 0.01 31 I E E 4.89 24.70 21.33 46.20 120.19 -164.45 -114.83 129.11 0.29 99.71 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 32 K E E 67.61 11.67 27.08 38.85 117.45 -159.57 -108.02 125.07 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 33 I E E 5.82 25.04 16.68 42.40 116.37 -163.19 -108.83 124.23 1.51 98.49 0.00 1.47 0.03 0.00 0.00 0.00 0.00 98.47 0.04 34 E E E 100.78 6.30 23.79 30.60 117.86 -149.58 -87.31 140.78 15.15 84.76 0.09 5.34 4.28 4.46 0.00 0.11 0.00 85.59 0.23 35 G C E 37.55 5.53 22.77 29.21 96.18 21.82 81.68 4.95 61.85 38.06 0.09 12.47 30.59 17.18 0.00 0.13 0.00 39.32 0.29 36 V C C 10.52 23.42 10.06 33.04 112.80 147.17 -85.52 126.59 61.08 38.85 0.07 60.80 0.99 0.12 0.02 0.04 0.00 34.69 3.34 37 D C C 103.23 3.41 21.09 25.28 102.28 167.74 -109.81 -9.12 96.28 3.67 0.05 79.30 16.89 0.31 0.01 0.03 0.00 3.01 0.43 38 D C S 72.15 3.70 22.26 25.75 134.02 37.85 -134.26 157.64 98.15 0.61 1.23 17.59 80.15 0.46 1.28 0.06 0.00 0.13 0.34 39 T H H 71.05 12.65 13.88 26.67 91.78 -113.34 -60.54 -36.36 1.29 0.00 98.71 0.09 0.14 0.92 98.09 0.76 0.00 0.00 0.00 40 A H H 76.54 1.62 21.75 21.97 91.34 53.76 -63.59 -40.94 0.75 0.00 99.25 0.06 0.04 0.54 98.36 0.99 0.00 0.00 0.00 41 A H H 21.51 11.76 17.93 31.11 91.80 49.28 -64.97 -40.45 0.35 0.00 99.65 0.05 0.02 0.22 98.60 1.11 0.00 0.00 0.00 42 A H H 2.95 25.10 13.53 38.95 91.12 52.55 -63.49 -41.36 0.27 0.00 99.73 0.02 0.01 0.17 99.08 0.71 0.00 0.00 0.00 43 N H H 88.87 7.48 23.01 31.14 91.41 54.84 -63.61 -35.95 1.60 0.00 98.40 0.05 0.03 1.60 94.78 3.54 0.00 0.00 0.00 44 F H H 97.02 7.35 24.19 31.99 91.68 55.82 -67.65 -29.05 6.41 0.00 93.59 0.06 0.09 7.28 89.31 3.26 0.00 0.00 0.00 45 Y H H 7.35 24.29 17.96 42.63 95.58 48.17 -89.29 -10.91 20.41 0.03 79.57 0.33 0.49 20.81 75.00 3.32 0.02 0.01 0.02 46 L C T 39.83 18.54 17.88 36.42 111.29 112.55 -62.75 131.27 87.33 0.71 11.96 0.67 1.27 85.58 10.83 0.96 0.00 0.26 0.42 47 G C T 35.56 7.08 23.33 31.60 95.51 21.33 87.19 -5.63 97.47 0.39 2.15 0.77 1.97 95.00 1.48 0.47 0.00 0.25 0.06 48 K C C 56.16 15.98 20.17 35.81 119.38 129.20 -79.04 147.95 95.41 4.58 0.02 89.75 5.12 0.11 0.00 0.01 0.00 4.91 0.10 49 R E E 84.82 13.70 24.84 37.98 119.95 -124.47 -95.98 137.71 3.49 96.50 0.01 3.54 0.09 0.00 0.00 0.00 0.00 95.96 0.40 50 V E E 3.62 24.74 20.99 45.83 134.72 -175.10 -135.28 153.11 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.00 51 A E E 6.67 20.67 25.64 45.96 122.40 -137.61 -110.24 137.62 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 52 Y E E 12.29 22.38 24.56 46.12 127.04 -167.73 -121.24 139.74 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 53 V E E 14.49 19.18 23.42 42.46 118.12 -151.07 -108.69 127.11 0.80 99.20 0.01 0.66 0.03 0.00 0.00 0.00 0.00 99.29 0.01 54 Y E E 30.71 16.85 20.69 37.71 129.89 -176.12 -125.85 148.62 2.62 97.26 0.12 2.23 0.18 0.04 0.06 0.03 0.00 97.40 0.06 55 R E E 103.09 9.69 20.58 30.64 117.22 -125.36 -94.70 131.61 11.69 87.72 0.59 10.57 0.95 0.25 0.37 0.20 0.00 87.14 0.53 56 A C C 19.13 15.66 10.67 26.82 117.48 -133.73 -85.47 142.81 56.77 41.11 2.12 51.78 2.74 0.79 1.07 0.81 0.00 41.70 1.11 57 Q C S 136.08 2.05 15.58 18.03 96.89 -141.88 -79.97 -25.71 71.75 14.62 13.63 29.95 31.37 12.02 7.57 5.22 0.07 12.24 1.57 58 K C S 135.11 1.91 13.80 16.11 124.57 31.35 -125.32 150.01 67.17 10.45 22.38 21.95 30.76 16.49 12.48 8.51 0.33 7.04 2.44 59 E C C 128.09 4.65 10.53 16.96 111.10 -102.49 -76.37 129.74 67.62 9.65 22.73 41.66 15.11 11.55 12.98 9.58 0.09 7.02 2.01 60 V C C 93.40 4.66 10.28 16.52 110.13 62.09 -97.83 89.03 67.72 12.32 19.96 38.91 14.93 14.70 11.56 8.07 0.15 8.51 3.16 61 R C C 158.70 2.90 11.17 15.54 110.59 13.36 -103.25 95.22 75.41 9.42 15.17 32.18 16.99 27.68 7.12 7.17 0.09 6.08 2.68 62 G C T 46.17 3.35 12.67 17.26 115.53 -27.35 81.54 -152.69 89.67 3.67 6.66 23.78 25.42 41.15 1.52 4.74 0.00 2.48 0.90 63 T C C 97.12 4.28 12.95 18.64 103.56 -31.80 -91.34 16.27 85.23 10.17 4.60 37.11 23.91 25.01 0.80 3.63 0.00 8.40 1.13 64 K C C 106.74 6.04 14.80 22.27 117.54 115.15 -95.96 136.29 69.10 29.51 1.38 44.30 19.13 5.68 0.25 1.20 0.00 28.13 1.31 65 I E E 63.61 13.33 14.14 27.96 118.92 -150.31 -104.55 132.48 33.45 66.46 0.09 30.20 2.09 0.19 0.02 0.05 0.00 66.91 0.53 66 R E E 72.39 12.71 18.42 31.69 122.20 -162.17 -110.89 134.70 5.92 94.05 0.02 5.51 0.25 0.03 0.01 0.01 0.00 93.99 0.20 67 V E E 41.05 14.77 19.92 34.99 119.70 -151.92 -108.39 129.65 2.65 97.35 0.00 2.39 0.10 0.00 0.00 0.00 0.00 97.47 0.04 68 I E E 15.34 19.66 19.77 39.74 121.36 -165.82 -113.08 132.23 1.44 98.55 0.00 1.36 0.04 0.00 0.00 0.00 0.00 98.57 0.03 69 W E E 81.89 13.31 23.57 36.62 123.30 -162.28 -111.19 137.84 2.61 97.38 0.00 2.18 0.17 0.01 0.00 0.00 0.00 97.57 0.06 70 G E E 8.92 15.78 21.09 37.06 143.52 144.46 -157.42 -172.98 3.82 96.17 0.00 2.76 0.71 0.02 0.00 0.00 0.00 96.47 0.04 71 K E E 95.62 7.09 25.46 33.40 122.09 -79.26 -103.79 143.12 2.48 97.52 0.00 2.17 0.15 0.00 0.00 0.00 0.00 97.56 0.11 72 I E E 17.82 23.36 13.60 37.42 110.14 -115.17 -75.35 126.57 6.56 93.43 0.01 6.55 0.13 0.01 0.00 0.00 0.00 92.73 0.57 73 T E E 64.58 6.68 21.77 29.34 101.84 175.40 -100.06 -27.79 30.82 69.16 0.01 21.23 9.42 0.18 0.00 0.01 0.00 68.84 0.32 74 R E E 122.50 3.64 22.93 27.05 133.74 4.35 -144.73 146.15 35.79 64.20 0.01 15.62 19.78 0.27 0.00 0.01 0.00 64.06 0.26 75 P E E 64.16 14.15 15.07 29.05 115.33 -105.99 -67.91 146.03 43.78 56.17 0.06 41.84 1.15 0.11 0.01 0.04 0.00 55.51 1.33 76 H E E 67.82 12.68 14.29 27.45 110.36 -142.27 -94.53 115.44 36.28 63.22 0.50 30.82 2.68 0.56 0.26 0.29 0.00 44.40 21.00 77 G C T 41.47 5.87 16.68 23.63 115.51 -140.07 73.20 -151.40 84.43 5.07 10.50 9.15 20.56 53.25 0.32 12.13 0.00 3.73 0.86 78 N C T 127.09 3.13 15.25 18.64 94.77 -37.56 -72.08 -17.37 86.70 1.26 12.04 2.10 13.28 69.67 0.31 13.48 0.00 0.77 0.41 79 S C T 59.78 6.42 17.25 24.54 95.74 50.65 -92.40 -1.23 88.40 0.48 11.12 1.59 8.76 76.21 0.27 12.71 0.00 0.27 0.19 80 G C T 18.97 13.23 16.05 30.41 95.94 -110.26 82.78 8.75 96.48 1.46 2.06 15.75 20.51 60.12 0.15 2.15 0.00 1.07 0.25 81 V E E 32.35 12.59 19.96 33.89 118.31 137.88 -84.69 140.41 35.03 64.93 0.04 32.13 2.63 0.14 0.01 0.03 0.00 63.23 1.83 82 V E E 11.82 21.76 18.55 40.79 118.30 -142.62 -98.15 133.06 3.26 96.74 0.00 3.16 0.11 0.01 0.00 0.00 0.00 95.98 0.74 83 R E E 82.58 11.41 26.19 37.65 120.92 -157.61 -107.74 133.56 3.05 96.95 0.00 2.87 0.08 0.00 0.00 0.00 0.00 96.99 0.06 84 A E E 5.65 24.35 16.30 40.90 129.15 -171.70 -124.85 146.61 2.67 97.33 0.00 2.57 0.05 0.00 0.00 0.00 0.00 97.36 0.02 85 K E E 98.17 6.85 25.83 33.43 123.64 -156.22 -118.36 134.33 1.10 98.89 0.00 1.09 0.03 0.00 0.00 0.00 0.00 98.76 0.12 86 F E E 24.98 22.10 11.98 33.53 116.55 -139.08 -88.93 134.98 9.07 90.93 0.00 9.39 0.13 0.01 0.00 0.00 0.00 89.42 1.04 87 T C S 86.43 3.76 20.02 24.31 97.89 -163.06 -88.45 -24.65 91.38 8.60 0.02 25.17 65.06 0.58 0.00 0.02 0.00 8.96 0.21 88 H C S 105.66 3.13 20.37 23.79 132.86 19.45 -138.91 151.05 97.23 2.75 0.02 3.24 93.49 1.02 0.00 0.01 0.00 2.09 0.14 89 P C C 82.29 8.35 18.97 28.01 113.98 -88.86 -65.62 143.31 98.14 1.83 0.03 87.31 10.06 0.90 0.00 0.04 0.00 1.35 0.35 90 L C C 14.81 23.05 11.96 34.85 116.23 -126.47 -88.48 133.24 97.02 2.92 0.06 94.23 2.75 0.05 0.03 0.02 0.00 0.75 2.18 91 P C C 52.16 6.21 22.83 29.71 114.05 -111.12 -65.49 146.06 98.99 0.75 0.27 98.57 0.53 0.13 0.09 0.09 0.00 0.25 0.35 92 A H G 45.17 15.87 13.92 29.37 92.35 -115.97 -59.10 -33.59 24.13 0.21 75.65 4.20 3.26 15.60 11.26 65.48 0.00 0.12 0.08 93 R H G 164.07 2.91 19.31 23.06 91.15 62.10 -68.30 -19.94 16.42 0.21 83.37 2.26 1.88 11.41 13.31 70.94 0.00 0.14 0.05 94 S H G 35.00 14.46 16.01 30.46 94.67 63.79 -75.53 -18.83 14.35 0.24 85.41 2.75 2.12 8.88 12.19 73.84 0.00 0.16 0.06 95 F C T 51.56 19.19 15.64 33.43 99.67 48.88 -90.91 12.81 49.79 0.99 49.22 2.84 5.77 39.80 10.61 39.63 0.08 0.53 0.75 96 G C T 44.51 5.27 22.55 28.19 97.78 -96.53 83.90 7.78 94.93 0.97 4.11 10.85 7.86 76.30 1.35 2.65 0.00 0.69 0.30 97 A C C 20.99 18.27 14.19 32.30 117.91 146.61 -79.15 148.38 91.78 7.86 0.36 86.12 4.55 0.79 0.09 0.24 0.00 7.55 0.65 98 S E E 55.32 7.03 24.12 31.57 122.34 -136.34 -105.53 143.10 39.65 60.16 0.19 36.38 2.47 0.33 0.05 0.14 0.00 59.03 1.59 99 V E E 16.11 24.17 14.52 38.42 127.28 -166.00 -125.53 138.91 9.93 90.05 0.02 9.30 0.47 0.03 0.01 0.01 0.00 89.81 0.37 100 R E E 99.58 7.65 25.22 33.31 121.56 -157.21 -111.36 134.46 3.05 96.94 0.01 2.99 0.08 0.00 0.00 0.00 0.00 96.86 0.06 101 I E E 25.97 22.34 15.72 37.86 121.41 -160.84 -113.08 130.46 2.14 97.86 0.00 2.14 0.04 0.00 0.00 0.00 0.00 97.78 0.05 102 M E E 67.03 8.52 23.13 32.39 124.92 -171.37 -120.45 138.32 4.32 95.67 0.01 4.02 0.12 0.01 0.00 0.00 0.00 95.74 0.11 103 L E E 59.27 15.42 15.93 31.31 116.40 -136.65 -94.06 131.55 15.26 84.72 0.03 13.71 0.96 0.07 0.01 0.02 0.00 84.75 0.48 104 Y C C 89.60 9.98 14.85 26.08 120.93 -156.13 -107.95 135.88 58.49 41.44 0.07 52.61 4.17 0.22 0.01 0.07 0.00 42.36 0.57 105 P C C 77.82 6.07 13.41 20.87 111.17 -104.78 -68.34 147.40 68.33 26.92 4.76 47.08 11.90 8.88 0.46 5.00 0.00 25.54 1.15 106 S C C 77.02 5.05 9.81 16.62 104.26 -126.41 -82.23 11.70 85.56 7.81 6.64 38.08 25.49 21.94 0.55 6.89 0.00 5.97 1.08 107 S C C 89.55 1.83 10.38 13.36 104.98 82.00 -89.07 31.71 87.40 6.52 6.09 66.08 6.18 14.45 0.77 5.95 0.00 5.24 1.35 108 I C C 104.40 6.15 9.82 17.46 107.89 113.24 -89.79 82.91 99.81 0.17 0.02 99.77 0.08 0.03 0.00 0.00 0.00 0.09 0.01