# 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 112.98 6.24 15.05 22.48 118.66 -149.84 -106.24 128.19 98.48 1.51 0.01 98.65 0.13 0.04 0.00 0.00 0.00 1.09 0.08 1 V C C 60.82 11.51 10.73 23.06 124.32 -169.99 -117.96 136.62 65.53 34.28 0.19 65.23 0.76 0.44 0.07 0.09 0.00 29.80 3.60 2 N C C 112.63 2.64 16.41 19.86 113.07 -142.66 -96.74 120.44 61.98 37.81 0.20 52.23 7.25 1.29 0.06 0.21 0.00 34.62 4.36 3 I C C 57.27 15.21 10.00 25.08 118.36 -160.73 -102.97 129.54 76.44 23.53 0.03 68.97 7.60 0.14 0.01 0.03 0.00 21.79 1.47 4 P C C 51.30 8.04 13.53 23.56 114.47 -110.23 -65.59 150.10 82.53 17.14 0.33 80.85 1.53 0.47 0.06 0.23 0.00 15.74 1.12 5 K C S 152.03 2.90 14.55 18.93 95.29 -129.72 -71.48 -24.99 86.94 12.31 0.75 11.66 66.06 8.61 0.05 0.75 0.00 12.18 0.70 6 T E E 77.36 4.54 15.82 21.56 128.01 31.08 -128.60 146.01 47.23 51.72 1.06 20.19 19.76 8.39 0.07 1.05 0.00 49.70 0.83 7 R E E 96.88 12.32 12.74 25.54 126.78 -172.23 -128.18 140.08 30.23 69.42 0.36 26.09 3.66 0.48 0.06 0.29 0.00 68.74 0.69 8 K E E 103.41 8.01 17.17 26.21 120.97 -145.24 -107.70 135.44 13.76 86.18 0.06 12.83 0.68 0.07 0.02 0.03 0.00 85.93 0.43 9 T E E 46.48 12.54 15.31 28.71 125.49 -165.41 -119.58 142.09 7.67 92.30 0.03 6.87 0.58 0.05 0.00 0.01 0.00 91.99 0.48 10 Y E E 95.58 9.45 17.09 27.52 120.12 -153.10 -107.02 134.23 19.60 80.31 0.09 16.97 2.50 0.26 0.03 0.07 0.00 78.76 1.41 11 C C C 27.73 12.97 12.16 26.58 121.01 -160.32 -116.80 130.63 74.25 25.62 0.14 66.70 5.58 0.50 0.02 0.13 0.00 26.10 0.97 12 P C C 81.14 4.76 16.00 21.75 109.63 -127.93 -72.21 134.51 87.34 10.47 2.19 45.98 30.60 11.04 0.36 2.09 0.00 8.32 1.60 13 G C S 37.80 5.27 13.19 19.50 122.59 9.08 103.60 -175.11 84.18 3.16 12.66 9.02 42.43 33.68 1.41 10.17 0.02 1.61 1.65 14 K C T 160.61 1.91 13.03 15.55 95.78 -52.07 -70.67 -23.82 81.95 0.75 17.30 3.83 21.71 56.08 1.43 16.08 0.01 0.39 0.48 15 N C T 121.92 1.78 13.46 15.48 97.85 47.88 -84.18 -1.88 82.00 1.86 16.14 7.06 18.73 55.45 1.66 15.07 0.02 1.10 0.91 16 C C C 50.71 11.46 8.33 19.92 104.83 78.75 -87.31 44.07 74.66 13.54 11.80 43.09 15.53 16.18 2.31 9.95 0.02 8.14 4.78 17 R C C 153.53 3.32 14.32 18.83 103.21 130.82 -82.72 -8.94 79.84 16.32 3.84 50.97 19.94 9.46 0.79 3.27 0.01 13.36 2.20 18 K C C 132.92 3.11 16.76 20.77 118.15 43.99 -95.00 138.02 71.42 25.56 3.02 45.33 18.94 7.55 0.44 2.74 0.00 23.16 1.84 19 H C E 69.15 16.57 10.02 25.57 121.96 -149.27 -99.06 141.29 50.94 48.69 0.37 45.00 4.86 0.69 0.08 0.29 0.00 47.78 1.30 20 T E E 65.77 5.90 19.51 26.31 123.48 -154.90 -117.79 138.24 15.51 84.42 0.06 14.61 0.76 0.08 0.02 0.03 0.00 83.62 0.87 21 V E E 76.62 10.72 16.18 27.50 115.04 -117.10 -76.49 138.10 10.58 89.36 0.06 9.82 0.59 0.06 0.02 0.03 0.00 88.37 1.11 22 H E E 45.96 15.23 13.76 29.50 126.11 -161.90 -114.31 146.90 31.54 68.35 0.12 27.56 2.87 0.24 0.03 0.08 0.00 68.67 0.55 23 R E E 144.99 4.02 20.63 25.44 118.74 -135.63 -100.26 134.47 29.68 70.17 0.15 26.89 1.91 0.18 0.04 0.09 0.00 69.57 1.30 24 V E E 34.71 18.56 10.79 28.73 116.08 -147.64 -96.84 129.17 27.63 72.05 0.32 26.65 0.93 0.15 0.14 0.16 0.00 70.21 1.76 25 T E E 80.15 4.29 18.60 23.46 103.85 -159.64 -101.32 -27.90 34.68 64.91 0.41 24.63 9.29 0.65 0.10 0.28 0.00 64.54 0.52 26 Q E E 99.87 5.19 18.29 24.49 128.56 2.47 -135.06 142.26 19.00 80.34 0.66 15.29 3.38 0.61 0.18 0.44 0.00 78.98 1.13 27 Y E E 85.46 16.19 11.83 27.34 122.49 -159.07 -113.82 136.92 22.08 77.47 0.46 19.93 1.50 0.33 0.20 0.27 0.00 75.45 2.32 28 K C C 97.81 7.33 16.22 24.61 120.23 -139.31 -98.15 143.39 56.47 42.97 0.57 45.58 8.99 1.69 0.16 0.45 0.00 41.48 1.66 29 K C C 133.28 5.10 14.70 21.49 113.78 -127.01 -88.03 139.56 83.08 16.02 0.90 46.01 33.29 4.43 0.21 0.76 0.00 13.42 1.87 30 G C S 28.60 8.16 12.65 21.96 129.69 50.95 -86.78 174.47 88.89 4.53 6.58 36.82 41.64 11.10 1.87 4.22 0.01 2.46 1.89 31 P C T 98.13 4.07 13.74 18.93 97.17 -62.74 -69.06 -21.16 76.48 1.80 21.73 20.01 20.03 37.02 5.55 15.49 0.02 0.93 0.94 32 D C T 103.75 3.30 13.91 18.32 99.35 55.60 -87.92 -2.13 73.73 2.40 23.87 26.72 14.93 32.88 8.04 15.02 0.03 1.19 1.19 33 S C C 34.95 11.30 10.14 22.41 114.59 109.58 -80.82 142.80 60.10 4.03 35.86 36.93 15.77 8.19 24.18 10.98 0.03 1.88 2.03 34 K H H 127.98 4.85 15.47 21.45 94.73 -123.41 -67.02 -28.21 40.91 3.03 56.07 10.13 8.99 21.65 39.19 16.32 0.54 1.87 1.30 35 L H H 84.56 7.92 14.88 23.75 97.13 55.93 -80.40 -18.12 40.11 5.01 54.88 10.03 8.37 21.71 38.48 15.48 0.76 3.43 1.74 36 A H H 41.29 10.83 13.11 24.88 98.76 74.96 -76.68 -14.91 43.33 6.55 50.12 18.32 10.06 16.35 35.99 12.47 0.44 4.22 2.14 37 Q C H 105.58 6.12 15.57 22.58 102.94 70.08 -88.05 2.55 57.39 6.02 36.58 20.68 13.13 24.52 29.00 6.65 0.32 3.60 2.09 38 G C C 33.79 8.55 13.56 23.13 117.00 -123.50 92.41 172.79 70.60 7.26 22.14 32.12 17.32 21.48 16.05 6.23 0.13 4.66 2.00 39 K C C 131.16 5.03 14.95 21.15 113.94 -90.49 -91.85 130.66 59.32 13.29 27.39 37.07 12.16 9.75 20.24 7.82 0.11 10.09 2.76 40 R C C 121.37 8.78 12.34 22.13 116.29 -142.99 -93.85 135.02 47.39 21.32 31.30 29.81 9.71 7.88 22.61 8.99 0.15 17.81 3.04 41 R C C 129.19 6.63 14.03 21.98 115.67 -152.65 -98.26 132.23 40.71 27.96 31.33 26.05 7.63 7.46 22.54 9.14 0.15 23.73 3.29 42 Y C C 97.98 10.09 11.31 22.42 118.65 -154.15 -105.29 135.08 40.51 28.33 31.16 25.58 8.25 7.26 23.64 7.85 0.18 23.50 3.73 43 D C C 80.55 5.74 13.10 20.33 112.47 -154.31 -97.10 124.15 52.91 19.72 27.37 35.49 9.41 7.69 21.71 6.45 0.07 16.91 2.27 44 R C C 143.70 5.86 11.35 18.66 106.48 -150.67 -85.67 64.46 53.42 16.20 30.37 32.62 10.65 10.43 22.18 8.55 0.12 13.10 2.35 45 K C C 143.87 2.51 12.11 15.80 104.60 77.99 -85.16 39.39 55.24 17.30 27.47 34.20 10.08 10.96 19.47 8.44 0.13 13.52 3.19 46 Q C C 110.63 5.10 9.63 16.33 108.73 75.66 -91.01 96.10 61.43 17.72 20.85 40.12 11.11 9.71 14.98 6.51 0.14 12.03 5.41 47 S C C 75.96 4.14 10.47 16.03 111.67 92.46 -95.88 122.32 76.27 10.99 12.73 43.28 15.44 17.95 7.65 4.92 0.04 7.33 3.40 48 G C C 50.29 3.10 10.71 15.31 115.00 18.83 96.98 -15.71 85.16 5.40 9.44 30.07 26.28 29.92 2.82 5.87 0.02 3.14 1.89 49 F C T 148.38 3.39 9.51 14.33 108.50 -41.22 -91.67 107.69 80.57 7.13 12.30 23.30 23.56 34.64 3.00 8.41 0.06 3.85 3.19 50 G C T 57.89 2.05 11.26 14.27 106.21 -6.18 74.37 8.15 86.24 4.32 9.44 20.66 23.75 42.11 1.62 7.61 0.01 2.61 1.63 51 G C C 51.82 3.65 10.66 15.88 108.50 -41.94 80.10 7.09 86.27 6.82 6.91 34.95 27.73 24.07 1.03 6.02 0.01 4.15 2.05 52 Q C C 111.86 4.62 10.68 16.94 115.22 123.91 -90.28 136.14 82.31 14.59 3.10 57.26 19.32 5.36 0.95 2.38 0.00 8.90 5.83 53 T C C 91.75 5.02 11.19 17.79 111.13 -157.48 -94.23 110.37 79.98 18.69 1.33 60.01 16.91 2.56 0.51 0.97 0.00 13.50 5.54 54 K C C 122.37 4.90 12.38 18.80 118.38 -143.50 -101.90 136.16 80.06 19.56 0.38 63.86 15.68 0.71 0.18 0.24 0.00 17.09 2.25 55 P C C 78.99 6.94 11.92 20.42 113.91 -108.89 -67.90 145.84 69.50 29.31 1.19 64.45 3.51 1.01 0.71 0.56 0.00 22.47 7.28 56 V C C 81.33 7.85 11.34 20.58 114.56 -138.61 -96.98 131.63 72.24 24.06 3.70 52.96 15.95 3.01 2.52 1.48 0.02 19.10 4.97 57 F C C 118.13 6.63 11.33 19.43 118.13 -149.24 -104.26 135.93 65.29 29.62 5.09 47.73 14.12 3.08 3.48 2.00 0.02 22.87 6.69 58 H C C 119.29 5.75 11.30 18.75 116.56 -157.39 -101.76 133.06 73.16 20.38 6.46 60.64 8.63 3.39 4.15 2.64 0.00 17.07 3.48 59 K C C 130.91 4.87 11.26 17.81 115.51 -144.96 -90.47 136.14 73.88 11.76 14.36 49.39 15.68 8.80 8.29 6.23 0.02 8.85 2.73 60 K C C 138.54 4.03 12.29 18.03 112.73 -126.68 -88.30 130.79 71.10 10.01 18.88 44.67 16.35 10.47 9.78 9.03 0.04 6.71 2.94 61 A C C 58.64 8.61 10.16 19.89 114.55 -126.82 -83.02 141.51 70.26 8.82 20.92 48.55 13.08 9.01 10.05 10.74 0.02 5.97 2.56 62 K C C 131.93 4.66 13.62 19.66 111.41 -137.04 -88.95 124.78 70.94 11.60 17.47 50.41 11.80 8.70 8.64 8.82 0.03 8.08 3.53 63 V C C 82.37 8.44 12.46 21.91 113.63 -159.68 -99.27 128.66 72.88 13.57 13.55 45.58 16.27 11.28 7.14 6.36 0.06 9.02 4.28 64 T C C 70.37 8.01 13.98 23.06 113.25 -154.19 -100.47 119.53 77.54 14.68 7.78 48.46 18.62 10.88 3.81 3.89 0.03 10.87 3.44 65 K C C 105.99 8.27 16.13 25.20 116.89 -144.90 -97.52 132.28 80.16 18.41 1.44 47.98 28.83 3.91 0.42 0.96 0.00 16.45 1.46 66 K C E 84.10 11.33 17.68 29.32 123.37 -142.06 -106.50 140.20 52.30 47.37 0.33 42.59 7.59 0.94 0.08 0.24 0.00 47.71 0.86 67 V E E 21.89 17.21 17.22 35.11 120.34 -147.61 -109.17 132.08 9.61 90.37 0.02 9.23 0.37 0.02 0.00 0.01 0.00 90.01 0.34 68 V E E 29.64 12.73 21.78 35.68 119.22 -157.65 -110.84 129.99 2.18 97.82 0.00 2.03 0.07 0.00 0.00 0.00 0.00 97.87 0.03 69 L E E 13.56 20.54 18.45 39.40 120.42 -161.77 -109.68 132.43 0.64 99.36 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.42 0.01 70 R E E 70.82 11.09 23.85 35.42 118.75 -156.69 -108.12 127.11 0.51 99.49 0.00 0.43 0.02 0.00 0.00 0.00 0.00 99.55 0.00 71 L E E 11.19 21.72 17.07 39.00 123.68 -167.24 -115.83 136.44 0.83 99.17 0.00 0.68 0.04 0.00 0.00 0.00 0.00 99.27 0.01 72 E E E 67.35 7.86 22.64 31.40 118.05 -149.82 -107.58 128.25 2.65 97.34 0.01 2.37 0.15 0.01 0.00 0.00 0.00 97.38 0.09 73 C E E 11.35 18.10 11.43 30.66 110.34 -133.55 -83.72 123.22 25.09 74.82 0.09 23.04 1.47 0.19 0.01 0.06 0.00 74.52 0.70 74 V C T 88.41 4.58 17.16 22.92 94.61 -157.76 -72.48 -28.29 94.61 3.89 1.49 6.34 25.88 62.25 0.09 1.50 0.00 3.48 0.46 75 S C T 73.25 3.39 15.30 19.41 98.90 44.79 -82.86 -37.10 96.88 1.26 1.86 3.69 25.12 68.06 0.14 1.78 0.00 0.90 0.31 76 C C T 59.17 6.52 12.07 20.13 105.75 21.44 -109.04 -2.39 95.86 2.51 1.62 18.91 30.65 46.32 0.15 1.69 0.00 1.79 0.49 77 K C C 155.23 2.56 13.86 17.70 95.33 -129.65 55.61 20.27 90.75 8.49 0.75 50.50 17.90 22.39 0.11 0.72 0.00 7.54 0.84 78 Y C C 112.45 5.33 13.58 20.73 120.01 132.42 -93.37 146.18 58.53 41.24 0.22 51.52 4.84 0.95 0.05 0.18 0.00 41.63 0.85 79 K E E 113.08 9.75 13.07 24.09 123.91 -154.71 -114.87 139.12 19.01 80.63 0.35 16.45 1.60 0.31 0.17 0.20 0.00 80.72 0.54 80 N E E 64.86 8.53 16.70 26.67 132.38 -171.70 -136.48 150.61 5.15 94.40 0.46 4.34 0.57 0.25 0.18 0.26 0.00 94.21 0.19 81 Q E E 94.51 11.00 15.73 27.42 122.25 -137.11 -111.37 136.08 6.21 93.19 0.60 5.20 0.77 0.33 0.24 0.33 0.00 92.90 0.23 82 L E E 40.82 13.85 15.57 30.36 124.67 -170.38 -117.92 139.74 16.02 83.65 0.32 14.85 0.77 0.14 0.15 0.16 0.00 83.67 0.24 83 V E E 81.03 6.91 20.58 28.15 115.32 -126.78 -84.84 132.49 21.96 77.81 0.23 20.70 0.73 0.14 0.11 0.12 0.00 77.54 0.66 84 L E E 24.68 20.85 12.57 32.73 122.76 -164.51 -111.27 143.03 40.40 59.13 0.47 37.30 2.11 0.32 0.21 0.25 0.00 59.07 0.75 85 K E E 109.83 5.63 21.98 28.03 119.53 -130.82 -95.68 140.28 35.26 63.84 0.91 28.64 5.71 0.83 0.50 0.50 0.00 62.61 1.20 86 R E E 103.07 12.74 17.11 29.66 115.67 -111.28 -79.53 138.95 29.37 69.43 1.20 23.78 4.52 0.91 0.59 0.67 0.00 63.41 6.12 87 C E E 26.25 16.62 12.61 29.49 123.82 -154.03 -109.98 145.93 42.14 56.63 1.23 39.37 2.07 0.57 0.56 0.70 0.00 52.76 3.97 88 K C S 131.23 4.05 18.25 23.34 99.10 -158.59 -86.89 -27.21 63.07 35.61 1.32 16.37 40.00 7.32 0.20 0.97 0.01 34.22 0.92 89 H E E 102.27 5.27 19.37 25.65 132.37 9.44 -141.16 145.02 47.81 50.98 1.22 21.13 22.70 5.39 0.20 0.93 0.00 48.76 0.89 90 F E E 55.44 18.42 12.24 29.93 125.92 -168.34 -127.94 135.13 41.29 57.23 1.48 37.84 2.75 0.74 0.59 0.86 0.00 54.40 2.81 91 E E E 99.40 5.68 19.06 25.61 116.77 -154.83 -107.36 126.34 44.56 54.47 0.97 41.70 1.89 0.71 0.46 0.54 0.00 50.90 3.80 92 L C E 75.59 12.65 12.49 25.27 113.86 -151.95 -90.30 131.88 59.68 37.84 2.48 28.98 12.45 20.66 0.60 1.88 0.01 33.38 2.06 93 G C T 46.91 4.67 14.85 20.50 108.37 17.56 90.67 -6.71 80.50 16.45 3.05 24.68 26.65 30.03 0.56 2.37 0.01 14.25 1.45 94 G C S 41.34 5.56 12.58 19.51 119.43 110.95 101.65 -171.60 83.15 9.50 7.35 32.32 38.21 13.25 3.02 4.16 0.02 7.03 2.01 95 E C C 136.25 3.04 12.68 17.12 112.21 -55.88 -87.95 130.54 74.99 10.07 14.95 47.32 17.76 10.08 8.03 7.00 0.02 6.98 2.82 96 K C C 128.83 5.23 10.37 17.30 111.18 -132.84 -86.01 120.28 68.96 10.63 20.41 45.66 14.54 8.99 11.55 8.82 0.03 7.47 2.92 97 K C C 142.08 3.63 10.90 16.12 108.50 -143.05 -87.39 106.40 71.72 9.00 19.28 50.13 13.33 8.23 11.23 8.17 0.02 6.40 2.49 98 T C C 88.75 4.28 10.11 16.09 114.81 -148.03 -99.53 131.17 74.93 7.85 17.23 53.07 12.96 8.63 10.57 6.81 0.02 5.13 2.81 99 K C T 154.22 2.46 10.15 14.20 111.44 -122.21 -81.70 130.03 76.87 4.66 18.47 24.34 13.86 39.06 10.65 7.39 0.05 2.85 1.80 100 G C T 54.95 3.06 10.72 15.06 105.18 15.70 86.59 -0.18 81.01 2.53 16.46 22.66 16.11 42.85 7.84 7.99 0.02 1.56 0.97 101 A C C 67.96 4.93 9.51 16.14 112.86 131.07 -84.89 137.42 75.52 7.25 17.24 48.89 15.31 11.46 7.10 10.24 0.01 4.92 2.07 102 A C C 79.90 3.50 10.08 15.16 110.70 -127.94 -89.88 127.81 67.93 16.73 15.34 42.28 15.49 11.25 6.35 8.58 0.05 13.22 2.77 103 I C C 102.64 6.97 7.92 16.08 115.57 -143.19 -96.80 131.69 63.96 24.41 11.62 47.51 9.63 7.18 5.07 6.27 0.03 21.30 3.01 104 Q C C 135.20 2.21 10.57 14.45 116.58 -157.62 -103.06 132.08 68.95 25.12 5.93 61.48 2.47 4.03 3.62 2.28 0.00 21.44 4.67 105 F C C 130.76 6.54 10.57 18.45 115.22 -154.60 -100.33 130.89 99.28 0.69 0.02 99.26 0.13 0.05 0.01 0.00 0.00 0.51 0.04