# 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 106.98 6.56 11.94 19.85 114.01 -155.11 -94.02 127.65 99.83 0.08 0.09 99.74 0.09 0.06 0.06 0.00 0.00 0.03 0.01 1 S C C 61.46 5.36 10.33 17.32 115.04 -149.30 -89.09 151.30 82.50 0.55 16.96 76.95 0.74 3.46 17.82 0.57 0.00 0.20 0.26 2 N H H 101.01 3.18 11.64 15.98 99.79 -126.25 -73.96 -18.62 42.50 0.62 56.88 30.13 6.06 5.01 57.35 0.96 0.00 0.21 0.27 3 I H H 92.92 3.89 12.30 17.63 94.03 65.53 -65.83 -40.18 6.19 0.09 93.72 3.21 1.01 2.01 93.05 0.64 0.00 0.04 0.03 4 I H H 71.34 6.54 12.50 20.69 92.83 50.27 -65.55 -40.77 2.33 0.06 97.62 1.22 0.32 0.87 97.01 0.53 0.00 0.03 0.01 5 K H H 108.60 3.12 14.74 18.76 92.29 51.44 -64.81 -40.69 1.32 0.03 98.65 0.67 0.16 0.51 98.22 0.41 0.00 0.02 0.01 6 Q H H 95.45 2.33 15.59 18.08 92.09 50.43 -64.70 -41.28 1.14 0.02 98.84 0.48 0.12 0.51 98.60 0.27 0.00 0.01 0.01 7 L H H 69.74 5.00 14.86 21.34 92.37 50.03 -64.83 -41.52 1.19 0.02 98.79 0.45 0.12 0.58 98.56 0.28 0.00 0.01 0.01 8 E H H 81.06 6.68 14.53 22.59 92.33 51.02 -64.79 -40.68 1.67 0.02 98.31 0.55 0.17 0.86 98.07 0.34 0.00 0.01 0.01 9 Q H H 101.07 2.81 16.12 19.35 92.40 50.79 -65.55 -39.74 3.49 0.03 96.48 0.87 0.37 2.14 95.73 0.85 0.01 0.01 0.02 10 E H H 104.44 2.67 15.86 18.87 92.59 50.54 -66.63 -38.24 7.96 0.04 92.00 1.25 0.73 5.71 90.96 1.31 0.01 0.01 0.02 11 Q H H 80.26 7.04 13.60 21.98 93.23 52.02 -68.77 -33.84 20.74 0.11 79.15 3.44 1.95 15.00 77.54 1.95 0.02 0.04 0.07 12 M H H 90.56 7.70 12.44 21.44 94.46 59.93 -71.82 -22.24 42.24 0.53 57.23 16.05 6.48 20.65 52.50 3.76 0.03 0.21 0.32 13 K C C 139.80 2.83 14.00 17.89 97.92 65.20 -79.14 -9.14 62.45 1.11 36.44 33.32 7.64 21.23 31.81 4.90 0.01 0.50 0.59 14 Q C C 108.10 5.16 12.37 19.18 108.30 86.72 -87.03 97.40 80.48 1.22 18.30 46.41 16.95 16.73 14.49 4.19 0.00 0.55 0.68 15 D C C 108.93 3.16 15.61 19.90 107.18 -105.14 -84.88 106.15 93.37 1.35 5.29 73.73 9.64 10.03 2.95 2.16 0.00 0.67 0.83 16 V C C 45.82 16.98 10.46 26.68 116.90 -161.03 -96.61 131.05 99.10 0.80 0.10 86.45 12.45 0.24 0.05 0.04 0.00 0.30 0.48 17 P C C 50.95 9.32 17.00 27.62 115.62 -111.70 -66.89 151.43 99.68 0.20 0.13 93.95 4.14 1.62 0.02 0.11 0.00 0.10 0.06 18 S C C 69.97 6.66 20.71 28.21 114.64 -110.00 -79.68 137.42 98.77 1.09 0.14 86.36 9.86 2.58 0.01 0.17 0.00 0.44 0.57 19 F C C 18.23 23.32 11.16 33.89 124.35 -157.88 -113.01 142.36 92.36 7.60 0.04 89.85 2.40 0.06 0.02 0.01 0.00 1.35 6.31 20 R C C 125.05 3.58 24.08 27.79 128.65 -157.13 -117.77 156.79 99.84 0.15 0.01 99.51 0.38 0.01 0.00 0.00 0.00 0.04 0.06 21 P C T 70.45 11.64 15.04 27.23 110.84 -81.88 -59.36 137.32 99.82 0.08 0.10 0.15 1.18 98.56 0.00 0.06 0.00 0.03 0.02 22 G C T 39.98 4.99 19.68 25.74 96.44 26.54 91.08 -7.25 99.90 0.05 0.05 0.21 1.21 98.51 0.00 0.03 0.00 0.03 0.00 23 D C C 34.28 12.79 16.16 30.42 119.00 131.49 -72.09 149.48 94.30 5.70 0.01 93.26 1.25 0.02 0.00 0.00 0.00 5.34 0.12 24 T E E 55.30 9.59 22.38 32.55 119.69 -130.97 -101.42 134.26 1.35 98.65 0.00 1.43 0.02 0.00 0.00 0.00 0.00 98.42 0.13 25 V E E 5.26 24.37 15.60 40.52 127.66 -171.33 -124.17 142.53 0.17 99.83 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 26 E E E 67.47 8.33 25.50 34.56 115.45 -136.68 -99.11 126.59 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 27 V E E 3.84 25.52 15.85 42.38 120.23 -164.70 -111.27 130.75 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 28 K E E 66.90 9.01 25.44 34.94 120.77 -164.03 -113.37 131.67 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 29 V E E 9.52 22.21 16.32 38.84 123.57 -167.63 -118.64 135.37 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 30 W E E 76.75 8.89 21.84 31.92 117.29 -150.98 -103.90 128.39 0.51 99.49 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.01 31 V E E 22.60 16.07 14.12 31.16 123.73 -168.98 -116.68 138.39 1.93 98.07 0.00 1.67 0.11 0.01 0.00 0.00 0.00 98.17 0.03 32 V E E 68.45 6.57 14.41 22.91 116.77 -143.49 -104.53 126.49 10.02 89.93 0.05 8.53 0.94 0.15 0.01 0.04 0.00 90.10 0.25 33 E E E 101.04 6.30 9.96 18.08 115.34 -176.09 -123.29 114.52 32.05 66.31 1.64 12.48 9.21 11.95 0.16 1.61 0.00 63.91 0.69 34 G C T 63.62 0.60 12.17 11.74 107.31 -35.57 66.04 -119.14 97.72 0.53 1.75 3.44 14.27 79.62 0.07 2.08 0.00 0.40 0.12 35 S C T 106.20 0.38 10.36 9.54 97.64 -30.97 -87.01 1.89 97.36 0.75 1.88 4.46 22.99 69.60 0.08 2.15 0.00 0.57 0.15 36 K E E 131.39 2.00 9.94 13.59 121.84 91.19 -102.95 145.20 27.86 71.93 0.21 15.81 11.58 1.97 0.03 0.20 0.00 69.64 0.77 37 K E E 131.76 5.29 9.82 17.37 118.12 -135.42 -95.40 133.53 14.46 85.49 0.04 11.98 1.34 0.23 0.01 0.04 0.00 86.22 0.18 38 R E E 105.68 5.85 13.83 21.63 128.13 -175.37 -129.40 147.00 4.05 95.94 0.01 3.47 0.27 0.04 0.00 0.01 0.00 96.15 0.06 39 L E E 89.20 9.29 13.82 24.34 117.73 -129.58 -95.87 133.23 1.47 98.53 0.00 1.33 0.05 0.00 0.00 0.00 0.00 98.59 0.02 40 Q E E 58.82 11.30 16.56 28.97 129.61 -175.72 -129.32 147.28 0.66 99.34 0.00 0.59 0.03 0.00 0.00 0.00 0.00 99.38 0.00 41 A E E 50.11 10.41 19.45 30.38 119.59 -132.66 -96.56 137.92 0.31 99.69 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 42 F E E 16.30 20.24 16.67 37.17 132.80 -176.70 -133.68 153.57 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 43 E E E 77.54 10.49 25.06 35.64 123.82 -143.11 -112.67 137.73 0.59 99.41 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.00 44 G E E 4.34 18.40 22.68 41.18 145.02 123.39 -168.71 -172.64 1.28 98.72 0.00 0.90 0.13 0.00 0.00 0.00 0.00 98.96 0.01 45 V E E 30.79 13.77 26.44 41.07 121.66 -67.15 -110.47 136.86 0.38 99.62 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 46 V E E 5.19 24.80 19.06 44.89 109.76 -118.26 -75.59 124.52 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 47 I E E 32.19 14.85 24.46 39.76 100.95 174.01 -99.65 -28.88 0.44 99.56 0.00 0.31 0.06 0.00 0.00 0.00 0.00 99.63 0.00 48 A E E 21.26 11.23 25.46 37.88 142.50 -0.79 -157.90 154.69 0.41 99.59 0.00 0.29 0.05 0.00 0.00 0.00 0.00 99.65 0.00 49 I E E 40.83 19.92 15.76 34.94 123.38 -153.29 -124.75 129.12 2.50 97.50 0.00 2.41 0.06 0.00 0.00 0.00 0.00 97.43 0.09 50 R E E 102.00 7.59 18.63 27.14 123.27 -166.66 -118.76 139.78 41.82 58.12 0.05 34.69 5.19 0.56 0.01 0.05 0.00 59.11 0.38 51 N C S 116.58 3.70 15.61 20.60 98.34 -22.55 45.83 51.52 78.06 21.80 0.14 36.82 36.93 3.40 0.01 0.17 0.00 22.23 0.43 52 R C C 139.37 4.90 12.52 19.09 114.70 141.23 -114.54 108.72 84.58 14.89 0.53 43.75 36.76 4.35 0.09 0.58 0.00 12.55 1.92 53 G C S 45.11 2.66 15.60 18.89 123.24 -29.36 78.66 -155.25 89.39 4.25 6.35 9.18 56.42 23.88 0.36 6.23 0.00 2.65 1.28 54 L C T 119.31 4.47 14.08 19.81 94.12 -30.73 -71.42 -21.42 91.27 1.09 7.64 2.58 26.79 60.95 0.17 8.53 0.00 0.68 0.31 55 H C T 104.22 7.48 16.12 24.44 103.89 45.33 -104.33 29.97 81.48 11.00 7.52 9.14 18.84 52.54 0.20 8.75 0.00 9.94 0.58 56 S C C 19.00 14.17 15.03 30.57 120.23 118.39 -86.72 142.88 57.76 41.68 0.57 51.91 3.56 0.84 0.06 0.51 0.00 42.60 0.52 57 A E E 21.67 12.86 22.13 35.77 135.42 164.23 -139.31 156.31 6.24 93.74 0.02 5.49 0.46 0.03 0.01 0.01 0.00 93.83 0.17 58 F E E 11.37 22.56 19.50 42.15 124.64 -148.09 -120.09 140.97 0.52 99.48 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.53 0.01 59 T E E 21.88 13.22 25.39 39.51 121.39 -154.11 -113.57 134.81 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 60 V E E 5.09 23.82 19.56 43.85 122.31 -165.56 -116.02 134.30 0.21 99.79 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 61 R E E 62.05 13.12 23.70 36.80 124.08 -165.06 -116.03 136.51 0.60 99.40 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 62 K E E 47.94 14.74 18.67 33.59 130.24 -173.92 -126.17 148.44 1.62 98.37 0.01 1.29 0.16 0.01 0.00 0.00 0.00 98.51 0.03 63 I E E 63.14 10.95 16.04 28.26 116.11 -136.26 -102.10 124.84 6.19 93.75 0.05 5.11 0.82 0.10 0.01 0.02 0.00 93.77 0.17 64 S E E 43.35 9.72 11.53 22.68 125.66 170.45 -135.15 135.57 14.73 84.94 0.34 10.11 3.76 1.28 0.08 0.25 0.00 83.52 1.00 65 N C T 141.57 0.85 13.87 13.90 93.21 -13.66 52.05 42.10 98.60 0.82 0.58 1.06 10.75 86.83 0.03 0.58 0.00 0.63 0.12 66 G C T 58.69 2.26 12.75 15.75 95.21 -50.90 81.64 1.24 99.03 0.52 0.44 1.23 12.16 85.64 0.02 0.47 0.00 0.40 0.07 67 E E E 108.55 3.86 15.20 20.53 124.48 102.57 -112.41 141.93 10.15 89.74 0.11 6.99 2.79 0.45 0.03 0.08 0.00 89.13 0.54 68 G E E 27.30 13.97 12.59 26.56 123.74 -144.48 -99.58 148.58 5.43 94.56 0.02 4.19 0.78 0.07 0.00 0.01 0.00 94.88 0.07 69 V E E 41.96 11.75 18.43 31.51 125.73 -164.75 -126.66 136.85 1.90 98.09 0.00 1.67 0.09 0.00 0.00 0.00 0.00 98.20 0.03 70 E E E 79.74 14.44 17.82 31.94 121.98 -156.14 -109.67 133.89 1.31 98.69 0.00 1.09 0.06 0.00 0.00 0.00 0.00 98.84 0.01 71 R E E 66.94 13.97 20.05 34.05 130.56 -175.74 -132.66 143.47 0.31 99.69 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 72 V E E 57.19 13.31 21.89 35.04 120.22 -148.79 -109.88 129.53 0.15 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 73 F E E 18.07 20.41 17.68 38.12 129.62 -173.57 -128.25 146.76 0.79 99.21 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.25 0.02 74 Q E E 77.21 8.22 24.19 32.54 114.75 -114.49 -76.37 140.82 12.91 87.05 0.04 11.36 1.01 0.23 0.01 0.04 0.00 87.04 0.31 75 T C T 30.13 20.38 16.28 35.87 93.36 -117.57 -63.22 -27.48 93.55 5.28 1.16 12.49 17.33 63.50 0.08 1.35 0.00 4.77 0.49 76 H C T 100.58 8.70 22.03 31.25 94.91 57.65 -88.82 3.74 96.89 2.14 0.97 12.71 19.51 64.34 0.06 1.30 0.00 1.62 0.46 77 S C C 15.09 18.42 13.93 32.87 112.81 125.13 -71.06 133.57 96.31 3.23 0.46 63.84 31.51 1.20 0.08 0.43 0.00 1.64 1.30 78 P C T 81.58 6.06 21.88 28.86 92.64 -133.00 -66.33 -18.43 97.70 1.15 1.15 2.69 19.99 75.03 0.06 1.21 0.00 0.83 0.18 79 V C T 37.81 15.32 18.74 34.09 95.60 59.09 -88.65 -7.72 86.36 12.16 1.48 4.99 9.88 72.50 0.12 1.50 0.00 10.43 0.58 80 V E E 9.03 24.69 12.69 37.41 111.09 103.78 -83.36 120.22 12.52 87.38 0.10 11.71 0.80 0.09 0.03 0.05 0.00 86.44 0.88 81 D E E 80.88 5.24 22.78 28.69 99.95 177.18 -94.22 -32.12 11.10 88.83 0.07 8.41 1.99 0.13 0.01 0.03 0.00 89.33 0.10 82 S E E 45.00 5.99 24.81 31.70 142.85 -0.69 -158.64 155.88 1.88 98.09 0.03 1.43 0.17 0.02 0.00 0.01 0.00 98.34 0.01 83 I E E 17.36 24.46 13.50 37.75 125.46 -160.54 -130.57 131.32 0.79 99.20 0.01 0.73 0.02 0.00 0.00 0.00 0.00 99.23 0.01 84 S E E 45.47 6.67 25.78 32.72 123.44 -169.77 -118.12 136.83 0.61 99.38 0.01 0.56 0.02 0.00 0.00 0.00 0.00 99.41 0.01 85 V E E 30.60 21.18 14.40 34.88 118.98 -157.44 -107.99 127.27 1.47 98.51 0.01 1.41 0.03 0.00 0.00 0.00 0.00 98.51 0.03 86 K E E 98.65 6.69 21.06 28.27 118.40 -174.65 -113.05 128.06 6.14 93.81 0.05 5.53 0.40 0.04 0.02 0.02 0.00 93.86 0.13 87 R E E 113.74 11.10 15.59 26.94 124.19 -131.65 -122.96 135.60 20.57 79.23 0.20 18.60 1.52 0.22 0.08 0.10 0.00 78.94 0.54 88 R C C 128.24 8.11 15.20 24.46 116.13 -166.97 -107.29 128.68 64.28 34.05 1.67 51.33 9.16 2.43 0.59 0.93 0.00 34.39 1.17 89 G C C 33.98 6.31 15.97 23.24 130.60 28.91 153.67 -175.90 84.04 8.91 7.05 52.28 24.98 7.33 4.23 2.69 0.01 7.13 1.36 90 A C C 71.20 4.69 17.09 22.58 113.50 -59.58 -87.05 136.05 79.27 5.38 15.34 57.92 14.92 6.26 11.31 4.50 0.01 3.69 1.39 91 V C C 53.45 14.88 11.28 25.74 113.15 -136.83 -93.22 127.81 66.84 4.11 29.05 50.93 9.30 6.56 21.16 8.17 0.01 2.66 1.22 92 R C C 136.04 5.68 16.72 23.47 104.78 -155.75 -85.23 15.11 64.00 3.43 32.57 45.88 9.89 7.99 23.42 9.59 0.01 2.18 1.03 93 K C C 118.71 7.12 16.54 24.44 105.25 32.44 -81.34 37.70 59.40 3.29 37.32 39.14 10.69 9.35 26.01 11.74 0.03 2.02 1.02 94 A C C 41.76 13.20 13.54 26.82 102.41 70.97 -76.55 -2.13 63.70 2.70 33.61 43.57 10.73 8.66 24.82 9.68 0.01 1.78 0.74 95 K C C 114.64 6.81 19.10 26.28 103.52 50.05 -85.89 55.43 64.50 5.90 29.61 46.77 9.09 7.95 22.84 7.48 0.01 4.67 1.20 96 L C C 38.19 17.58 13.59 30.55 107.60 107.70 -89.14 96.57 54.50 12.33 33.17 46.07 4.89 3.76 26.70 6.60 0.01 10.07 1.89 97 Y H H 105.85 7.87 18.99 27.44 97.03 98.54 -76.67 -33.15 33.65 12.90 53.45 18.73 5.74 9.93 37.26 15.64 0.07 11.48 1.16 98 Y H H 82.20 10.12 18.05 28.72 97.62 49.98 -79.34 -30.52 29.98 15.32 54.69 13.92 5.38 11.56 35.73 18.48 0.17 13.56 1.19 99 L H H 33.44 17.62 13.89 31.02 95.21 63.29 -76.31 -20.83 21.62 12.57 65.81 13.01 3.84 5.73 36.82 28.28 0.05 11.46 0.80 100 R H H 113.76 9.38 15.83 25.95 93.67 72.04 -67.20 -29.08 32.73 10.75 56.53 12.69 6.48 13.90 31.82 24.32 0.31 9.18 1.31 101 E C T 129.21 3.05 17.93 21.23 98.01 49.80 -90.70 -2.39 50.78 6.76 42.46 16.50 10.07 23.94 22.77 19.92 0.28 5.17 1.36 102 R C C 81.93 14.15 9.91 23.81 115.03 102.91 -83.50 131.08 82.16 3.76 14.08 58.56 16.70 6.24 11.55 3.36 0.00 2.30 1.29 103 T C C 90.69 3.79 15.09 20.20 120.32 -165.78 -114.22 149.72 82.44 3.01 14.55 58.18 12.68 10.32 12.83 3.08 0.00 1.60 1.32 104 G C H 41.49 3.82 16.31 20.93 117.61 13.08 79.85 -155.18 61.24 1.30 37.46 20.25 23.80 17.84 30.61 6.23 0.05 0.59 0.64 105 K H H 124.72 5.41 15.78 22.27 94.74 -29.97 -67.52 -32.67 33.32 1.12 65.56 12.16 8.18 13.76 52.51 12.22 0.08 0.71 0.38 106 A H H 38.86 9.95 14.42 25.67 92.61 56.90 -65.52 -36.10 27.70 2.08 70.22 12.65 5.42 10.30 55.53 13.93 0.08 1.61 0.48 107 A H H 33.79 8.53 14.96 25.40 93.00 55.80 -66.64 -37.67 27.05 3.03 69.92 16.61 4.88 6.85 56.85 11.77 0.04 2.43 0.57 108 R H H 114.70 5.17 18.43 24.14 94.86 54.90 -68.65 -36.75 31.13 5.54 63.33 20.84 5.59 6.55 54.76 6.90 0.04 4.36 0.96 109 I H H 51.26 11.08 14.42 26.54 95.04 57.73 -68.60 -38.59 28.26 6.59 65.15 20.53 4.48 4.94 58.85 4.72 0.03 5.57 0.89 110 K H H 98.07 8.05 14.83 23.76 95.06 56.35 -68.23 -37.37 27.45 5.88 66.67 19.74 3.98 5.19 59.07 6.01 0.02 5.22 0.75 111 E H H 116.49 3.45 14.37 18.85 96.37 56.01 -71.48 -34.04 30.98 4.51 64.50 19.20 5.17 8.00 54.49 8.58 0.05 3.73 0.78 112 R H H 139.90 4.23 13.20 18.73 97.74 55.38 -75.29 -24.31 38.94 3.46 57.60 22.46 5.84 11.85 49.12 7.30 0.05 2.50 0.88 113 L C C 78.92 9.37 9.71 19.86 100.91 58.51 -82.15 -7.59 58.28 1.75 39.98 39.87 2.81 15.55 36.13 3.92 0.00 0.93 0.78 114 N C C 116.15 3.24 14.55 19.04 101.54 61.31 -69.14 38.95 99.81 0.03 0.16 99.25 0.14 0.47 0.12 0.01 0.00 0.01 0.01