# 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 99.79 8.42 13.24 22.58 111.56 -144.26 -89.22 118.97 99.81 0.05 0.13 99.71 0.08 0.08 0.09 0.00 0.00 0.02 0.01 1 N C C 81.59 7.49 11.41 20.17 111.55 -154.31 -89.13 127.79 74.77 0.57 24.66 68.93 0.81 3.75 25.27 0.76 0.00 0.22 0.25 2 K H H 131.91 3.25 14.19 18.37 97.77 -142.09 -69.92 -26.42 44.27 0.98 54.76 32.94 4.82 5.64 54.40 1.40 0.00 0.43 0.37 3 L H H 66.80 8.16 14.72 24.29 93.31 63.45 -65.47 -39.98 10.76 0.49 88.75 7.09 1.60 2.68 86.78 1.42 0.00 0.29 0.14 4 I H H 34.27 15.50 13.51 29.24 92.70 51.11 -65.73 -40.64 4.58 0.35 95.07 2.88 0.65 1.40 93.35 1.37 0.00 0.26 0.08 5 D H H 70.99 5.77 16.89 23.77 91.93 52.43 -64.43 -40.11 3.78 0.33 95.89 2.26 0.52 1.28 94.29 1.32 0.00 0.25 0.07 6 E H H 99.93 2.90 18.59 21.35 92.65 50.79 -65.46 -40.56 4.10 0.33 95.57 1.98 0.58 1.75 94.17 1.18 0.01 0.24 0.09 7 I H H 43.43 10.57 16.01 27.94 92.87 49.23 -66.41 -41.48 5.79 0.34 93.87 2.43 0.86 2.79 92.38 1.22 0.02 0.22 0.11 8 T H H 33.98 14.33 14.30 28.88 93.14 49.45 -67.77 -39.09 10.43 0.39 89.18 4.13 1.44 5.18 87.45 1.41 0.02 0.21 0.16 9 K H H 128.79 4.17 17.15 22.53 92.97 52.61 -65.40 -37.39 13.26 0.26 86.48 3.39 1.79 8.34 80.98 5.19 0.05 0.13 0.13 10 S H H 79.36 2.29 17.60 19.84 94.12 49.07 -74.78 -23.79 27.29 0.18 72.52 3.17 2.52 21.54 67.47 5.06 0.05 0.08 0.11 11 Q C H 76.29 11.15 14.80 26.37 98.82 47.25 -95.73 -4.32 50.24 0.56 49.20 9.00 6.08 34.88 44.30 5.12 0.05 0.24 0.34 12 L C C 51.43 17.28 11.15 27.61 115.30 103.38 -78.65 135.70 87.44 2.29 10.27 54.64 26.57 5.81 8.34 2.04 0.00 0.68 1.91 13 N C C 67.83 9.03 14.38 24.75 111.43 -142.31 -92.82 117.98 94.18 1.34 4.47 86.28 4.74 3.50 1.88 2.11 0.00 0.58 0.91 14 P C T 105.36 4.40 13.92 20.15 95.34 -158.80 -72.82 -17.52 95.14 0.89 3.97 29.39 22.60 42.88 0.48 3.84 0.00 0.46 0.36 15 D C T 117.79 1.51 17.39 18.41 97.03 61.81 -89.17 9.22 96.89 0.78 2.32 35.96 20.19 40.28 0.20 2.64 0.00 0.44 0.28 16 V C C 34.51 19.01 9.75 27.76 116.85 115.26 -84.12 135.35 98.96 0.91 0.13 60.40 38.27 0.34 0.03 0.08 0.00 0.28 0.59 17 P C C 45.81 10.19 17.51 28.94 115.55 -105.12 -66.41 151.90 99.67 0.24 0.10 94.72 3.42 1.55 0.01 0.09 0.00 0.11 0.09 18 S C C 68.55 7.13 21.76 29.52 113.83 -109.36 -79.17 135.88 98.68 1.22 0.10 86.62 9.98 2.05 0.01 0.14 0.00 0.43 0.77 19 F C C 14.27 24.38 11.48 35.55 122.75 -152.38 -109.06 141.58 94.29 5.68 0.03 91.14 2.69 0.07 0.01 0.01 0.00 1.01 5.06 20 R C C 124.35 3.78 24.68 28.77 129.28 -161.21 -119.80 155.65 99.84 0.16 0.01 99.41 0.46 0.01 0.00 0.00 0.00 0.04 0.07 21 P C T 67.88 12.31 15.46 28.20 110.75 -81.94 -59.18 137.28 99.80 0.08 0.11 0.14 1.18 98.55 0.00 0.06 0.00 0.04 0.02 22 G C T 38.36 5.52 20.18 26.82 96.03 26.56 91.32 -7.06 99.90 0.04 0.06 0.21 1.25 98.47 0.00 0.04 0.00 0.03 0.00 23 D C C 32.13 13.37 16.74 31.47 118.50 131.81 -71.45 149.51 94.36 5.63 0.01 93.27 1.21 0.03 0.00 0.00 0.00 5.37 0.12 24 T E E 50.07 10.75 22.38 33.70 121.59 -134.77 -106.86 135.94 1.30 98.70 0.00 1.33 0.02 0.00 0.00 0.00 0.00 98.53 0.11 25 V E E 5.58 24.22 16.64 41.28 128.15 -171.73 -125.59 143.68 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 26 R E E 91.56 8.66 25.82 34.97 115.81 -135.97 -99.59 127.43 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 27 V E E 3.48 25.85 16.29 43.17 120.83 -165.69 -113.31 132.01 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 28 H E E 55.15 9.57 25.44 35.71 121.16 -165.04 -115.41 132.42 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 29 A E E 7.20 22.48 16.51 39.17 125.48 -168.83 -121.77 137.54 0.26 99.74 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 30 K E E 77.07 8.41 22.54 31.59 118.12 -152.99 -107.97 128.32 0.57 99.43 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.48 0.00 31 V E E 23.09 16.61 13.97 31.28 122.89 -168.77 -116.38 138.17 1.18 98.81 0.00 1.00 0.06 0.00 0.00 0.00 0.00 98.92 0.02 32 V E E 67.98 6.67 14.50 23.09 115.77 -140.72 -104.29 125.89 6.32 93.65 0.02 5.27 0.55 0.07 0.00 0.02 0.00 93.95 0.14 33 E E E 99.17 6.22 10.20 18.26 114.74 -177.14 -123.82 111.17 23.22 75.94 0.84 11.21 6.47 6.50 0.09 0.86 0.00 74.34 0.52 34 G C T 62.74 0.61 12.39 11.94 109.67 -47.88 64.39 -126.73 98.77 0.41 0.82 2.60 13.74 82.22 0.03 1.01 0.00 0.33 0.08 35 T C T 129.27 0.37 10.48 9.50 97.10 -22.48 -89.87 0.45 98.80 0.42 0.78 2.59 17.26 78.79 0.03 0.94 0.00 0.32 0.07 36 R E E 145.57 2.26 10.43 14.43 121.74 89.86 -103.32 143.50 19.41 80.50 0.09 12.27 6.68 1.05 0.01 0.08 0.00 79.40 0.50 37 E E E 114.59 6.81 10.09 18.85 120.01 -146.00 -103.52 134.83 8.34 91.65 0.01 7.16 0.43 0.05 0.00 0.01 0.00 92.29 0.06 38 R E E 99.99 6.53 14.75 23.11 129.52 -178.27 -131.49 148.11 1.93 98.07 0.00 1.69 0.07 0.01 0.00 0.00 0.00 98.21 0.02 39 I E E 84.95 10.10 14.91 26.04 118.25 -134.57 -101.17 131.23 0.74 99.26 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.30 0.00 40 Q E E 49.32 12.93 16.60 30.47 128.32 -175.32 -126.81 144.96 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 41 L E E 71.97 10.32 20.56 31.42 117.16 -132.95 -97.30 131.15 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 42 F E E 12.95 21.61 16.82 38.61 130.66 -174.81 -127.69 149.21 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 43 E E E 67.94 11.22 25.73 37.04 123.61 -151.26 -114.96 137.39 0.31 99.69 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 44 G E E 3.75 19.58 22.50 42.00 145.11 130.86 -167.32 -175.20 0.71 99.29 0.00 0.52 0.04 0.00 0.00 0.00 0.00 99.43 0.00 45 V E E 32.08 12.86 26.47 40.40 122.31 -74.19 -112.62 136.61 0.33 99.67 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 46 V E E 6.50 24.20 17.85 43.04 109.42 -118.47 -75.98 123.98 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 47 I E E 44.93 12.19 23.32 36.23 100.89 174.32 -98.54 -31.72 0.82 99.18 0.00 0.57 0.12 0.00 0.00 0.00 0.00 99.30 0.00 48 K E E 81.04 6.49 25.31 32.81 141.07 -1.48 -157.30 151.70 0.57 99.43 0.00 0.42 0.06 0.00 0.00 0.00 0.00 99.51 0.00 49 R E E 79.41 19.59 13.71 31.84 124.23 -157.19 -126.00 132.01 2.76 97.23 0.00 2.59 0.10 0.01 0.00 0.00 0.00 97.19 0.11 50 R E E 124.72 5.12 18.48 24.71 123.71 -173.68 -124.45 140.86 32.64 67.32 0.04 28.32 3.04 0.24 0.01 0.04 0.00 67.77 0.60 51 G C C 48.17 3.65 14.86 19.79 122.11 6.96 97.21 -171.02 80.57 19.30 0.12 52.92 24.37 2.09 0.01 0.15 0.00 19.92 0.52 52 A C S 82.68 3.40 13.17 18.15 120.21 -110.44 -119.15 134.41 89.85 9.77 0.38 39.20 46.56 4.44 0.05 0.43 0.00 7.80 1.52 53 G C S 45.33 2.70 15.34 18.73 123.72 9.91 88.27 -158.96 93.81 3.08 3.10 7.80 68.97 17.32 0.21 2.75 0.00 1.85 1.09 54 I C T 114.77 6.16 13.74 21.05 94.24 -40.02 -71.76 -20.87 93.76 1.26 4.98 3.23 33.76 56.10 0.13 5.63 0.00 0.80 0.34 55 S C T 57.86 7.78 16.10 24.78 99.79 53.59 -95.97 8.13 84.59 11.44 3.97 13.71 21.49 48.21 0.11 5.34 0.00 10.61 0.52 56 E C C 39.90 13.73 15.17 30.03 116.58 117.16 -84.97 139.27 63.27 36.26 0.47 57.86 3.35 0.69 0.05 0.40 0.00 37.26 0.39 57 T E E 32.82 12.25 21.61 34.62 130.66 -171.81 -127.26 150.25 7.25 92.73 0.01 6.53 0.40 0.02 0.00 0.01 0.00 92.86 0.17 58 F E E 11.08 22.21 18.92 41.39 125.62 -158.59 -120.36 138.76 0.36 99.64 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.00 59 T E E 22.19 12.81 25.32 39.18 120.15 -155.01 -110.86 132.91 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 60 V E E 5.49 23.53 19.66 43.65 120.55 -164.20 -112.70 131.64 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 61 R E E 58.41 13.80 23.29 37.01 124.68 -168.83 -116.46 137.06 0.48 99.52 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.56 0.01 62 K E E 54.67 14.04 19.50 33.60 130.56 -174.75 -127.47 146.91 1.57 98.43 0.00 1.32 0.10 0.00 0.00 0.00 0.00 98.55 0.02 63 I E E 61.39 12.25 16.17 29.25 116.94 -138.28 -104.94 125.59 5.50 94.48 0.02 4.69 0.54 0.05 0.00 0.01 0.00 94.57 0.13 64 S E E 44.18 9.32 12.51 23.38 125.70 168.79 -136.27 134.53 10.35 89.46 0.19 7.09 2.65 0.85 0.04 0.15 0.00 88.19 1.04 65 N C T 139.29 1.03 14.44 14.92 92.87 -13.23 52.46 42.98 99.11 0.53 0.36 0.53 6.81 91.84 0.01 0.35 0.00 0.38 0.07 66 G C T 55.86 3.00 13.70 17.45 94.66 -50.20 81.74 1.63 99.53 0.22 0.25 0.53 6.70 92.32 0.01 0.25 0.00 0.16 0.03 67 V E E 65.04 7.70 15.31 24.68 122.82 106.59 -111.59 134.47 5.25 94.71 0.03 3.46 1.45 0.15 0.01 0.02 0.00 94.46 0.44 68 G E E 22.35 13.59 15.26 29.41 120.02 -139.65 -89.05 145.31 2.43 97.57 0.00 1.97 0.17 0.01 0.00 0.00 0.00 97.83 0.02 69 V E E 30.43 14.35 18.78 34.13 125.28 -166.80 -125.05 136.98 0.81 99.18 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.22 0.01 70 E E E 72.71 14.79 19.26 33.61 123.36 -161.99 -115.50 133.40 0.54 99.46 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.52 0.00 71 R E E 62.06 14.45 20.68 35.07 130.28 -175.46 -131.04 143.15 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 72 T E E 51.47 13.95 21.80 35.35 122.28 -153.10 -114.17 131.60 0.15 99.85 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 73 F E E 16.43 20.22 18.64 38.97 127.97 -172.96 -129.50 139.60 1.07 98.93 0.00 0.95 0.02 0.00 0.00 0.00 0.00 99.01 0.02 74 P E E 40.66 9.16 24.21 34.30 113.44 -109.63 -67.17 142.41 8.17 91.82 0.01 7.19 0.52 0.06 0.00 0.01 0.00 91.96 0.25 75 V C T 21.20 22.22 16.29 38.07 92.82 -118.31 -61.80 -28.06 94.38 4.68 0.94 8.98 12.29 72.90 0.07 1.01 0.00 4.37 0.39 76 H C T 97.15 9.20 22.19 31.95 94.46 59.66 -87.68 3.70 97.58 1.75 0.67 8.25 15.60 73.53 0.04 0.86 0.00 1.40 0.33 77 T C C 22.01 17.39 14.49 32.51 112.72 123.02 -73.02 132.62 97.15 2.33 0.52 63.52 32.85 0.91 0.14 0.40 0.00 1.10 1.07 78 P C T 80.13 6.38 21.05 28.30 93.64 -128.55 -64.66 -21.44 95.12 1.49 3.39 7.04 20.02 68.37 1.05 2.17 0.02 0.98 0.35 79 R C T 87.59 12.27 19.65 31.75 96.21 60.93 -82.73 -5.17 87.23 9.96 2.80 11.53 11.84 64.05 0.85 2.05 0.01 9.07 0.59 80 I E E 12.81 24.24 12.29 36.22 109.75 99.41 -83.77 119.03 8.57 90.67 0.75 8.16 0.50 0.10 0.49 0.20 0.00 89.53 1.01 81 A E E 54.04 6.65 22.00 29.17 100.15 174.86 -89.62 -33.73 7.69 91.82 0.49 5.82 1.23 0.21 0.23 0.13 0.00 92.30 0.08 82 K E E 96.61 5.11 24.48 30.35 138.87 -0.83 -151.34 152.55 2.05 97.84 0.11 1.52 0.20 0.04 0.03 0.02 0.00 98.17 0.01 83 L E E 24.72 23.91 12.46 35.66 124.59 -162.04 -128.40 132.62 1.16 98.76 0.08 1.08 0.03 0.01 0.05 0.01 0.00 98.81 0.01 84 E E E 94.06 4.66 24.97 29.77 121.28 -170.55 -120.65 132.75 0.88 99.01 0.10 0.79 0.03 0.01 0.07 0.01 0.00 99.08 0.01 85 V E E 50.88 17.45 13.49 30.56 110.57 -127.64 -81.59 122.48 2.35 97.33 0.32 2.26 0.05 0.02 0.24 0.04 0.00 97.32 0.05 86 I E E 80.15 6.73 18.24 26.28 101.33 175.87 -95.41 -34.18 10.65 88.76 0.59 7.97 1.96 0.49 0.34 0.19 0.00 88.94 0.12 87 R E E 108.76 5.61 19.57 26.36 136.72 0.85 -150.17 148.04 15.57 84.09 0.34 11.18 4.06 0.62 0.12 0.16 0.00 83.64 0.22 88 R E E 124.94 11.85 14.24 26.63 121.59 -152.91 -115.87 133.38 44.35 54.84 0.81 38.23 4.37 0.86 0.32 0.40 0.00 55.15 0.67 89 G C C 24.81 10.39 14.49 25.78 129.29 -148.19 -114.52 169.68 79.95 18.19 1.85 57.08 18.98 3.35 0.78 1.01 0.00 17.60 1.20 90 K C C 145.35 2.79 18.54 21.81 113.66 -77.66 -90.13 133.31 83.37 12.41 4.22 61.87 18.03 3.41 2.61 1.71 0.00 10.48 1.90 91 V C C 52.12 16.05 10.73 26.14 118.17 -146.79 -99.70 132.42 79.06 10.92 10.03 66.93 8.00 3.54 7.44 3.09 0.00 8.15 2.84 92 R C C 128.31 6.21 16.56 23.77 113.09 -154.58 -94.92 131.94 80.71 7.29 11.99 65.23 10.51 4.54 9.20 3.40 0.01 5.24 1.89 93 R C C 125.49 8.25 15.65 24.61 107.88 -109.87 -79.68 119.00 71.71 6.23 22.06 54.12 11.05 6.15 16.83 5.87 0.01 4.52 1.45 94 A C C 48.11 11.14 14.48 26.07 100.84 -128.08 -73.88 -20.68 63.12 5.65 31.22 44.43 10.60 7.67 23.28 8.50 0.01 4.54 0.97 95 K C C 104.97 8.10 17.87 26.29 101.92 66.50 -81.66 -8.68 53.83 10.48 35.68 37.27 9.15 7.59 26.63 9.24 0.04 8.85 1.23 96 L H H 41.30 16.13 14.29 30.19 100.11 89.21 -78.90 -12.46 41.55 15.08 43.37 32.63 4.85 4.60 33.37 9.59 0.03 13.82 1.11 97 Y H H 94.61 9.01 18.02 27.66 95.51 85.71 -70.14 -33.80 27.71 16.05 56.24 16.56 4.68 7.12 41.04 14.14 0.05 15.50 0.92 98 Y H H 85.71 8.98 17.73 27.52 95.21 54.83 -72.23 -28.59 26.67 17.31 56.02 14.46 4.44 8.53 39.55 15.51 0.10 16.42 0.99 99 L H H 38.20 15.87 13.90 29.88 93.89 60.65 -73.15 -25.79 23.31 13.66 63.02 13.25 4.13 6.85 41.61 20.60 0.08 12.59 0.88 100 R H H 111.05 9.63 15.42 25.76 93.77 70.65 -67.02 -28.72 34.81 9.68 55.51 10.10 5.82 18.31 37.71 18.11 0.39 8.47 1.09 101 N C T 108.95 3.10 17.21 20.62 97.69 47.39 -91.54 0.87 52.63 5.60 41.77 13.23 8.78 29.50 27.20 15.47 0.24 4.57 1.02 102 L C C 54.26 14.28 9.05 23.15 112.08 111.96 -83.14 129.19 70.10 5.41 24.48 44.05 15.57 10.31 18.67 6.31 0.04 3.45 1.61 103 R C C 165.41 2.64 14.56 18.38 112.67 -156.42 -96.41 131.46 70.02 4.80 25.18 34.47 13.00 22.27 19.16 6.48 0.08 2.80 1.74 104 G C T 46.75 3.78 14.47 19.21 113.19 8.72 82.83 -148.57 67.81 1.77 30.41 17.83 18.96 31.47 19.34 10.53 0.07 0.91 0.89 105 K C H 133.37 5.14 14.11 20.41 97.76 -23.35 -75.43 -20.50 53.79 2.54 43.67 19.28 13.70 21.00 26.70 16.72 0.11 1.49 1.00 106 A H H 54.60 8.34 13.43 22.88 98.92 73.87 -74.84 -16.47 46.83 5.98 47.19 22.26 10.12 14.61 27.86 19.41 0.13 4.17 1.43 107 A C C 43.04 11.72 12.91 25.20 104.90 81.28 -82.91 45.99 47.78 10.13 42.08 29.52 8.84 9.48 26.06 16.47 0.06 8.01 1.56 108 R C C 125.13 7.00 16.39 24.30 111.40 154.21 -93.29 114.60 48.25 18.03 33.71 32.18 8.39 7.83 22.66 11.40 0.08 15.27 2.19 109 I C C 66.63 13.39 11.63 25.18 113.88 -163.00 -93.18 128.04 49.34 23.16 27.50 38.48 6.31 4.32 22.39 5.62 0.05 20.41 2.42 110 K C C 122.06 5.42 13.97 20.78 115.72 -159.89 -96.41 132.26 52.33 23.62 24.05 37.19 8.41 5.82 19.24 5.46 0.04 22.19 1.66 111 E C C 118.44 5.73 11.91 19.26 114.75 -133.94 -91.65 129.07 51.30 26.75 21.95 36.17 7.35 6.72 16.58 5.94 0.04 25.27 1.94 112 I C C 89.99 8.76 9.29 19.13 114.33 -156.26 -97.90 126.39 69.95 16.23 13.82 62.61 2.00 4.63 10.91 2.99 0.00 14.51 2.35 113 R C C 157.89 3.70 13.32 18.68 111.54 -147.51 -91.83 123.94 99.39 0.49 0.12 99.32 0.11 0.10 0.07 0.01 0.00 0.37 0.02