# 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 103.77 6.65 12.33 20.40 119.13 -154.19 -96.33 140.35 99.94 0.05 0.00 99.87 0.08 0.02 0.00 0.00 0.00 0.02 0.00 1 P C C 88.41 4.23 11.66 17.53 114.06 -107.34 -68.42 146.99 96.96 2.25 0.78 95.27 0.63 1.51 0.29 0.28 0.00 1.12 0.91 2 I C C 102.87 7.57 8.76 17.52 112.14 -131.47 -88.69 127.85 96.18 2.89 0.94 73.37 19.22 3.42 0.25 0.75 0.00 1.45 1.54 3 K C C 135.93 2.64 12.45 16.40 117.25 -137.24 -98.66 134.92 97.33 1.97 0.70 72.97 22.92 1.53 0.19 0.48 0.00 0.95 0.96 4 P C T 101.59 4.12 10.74 16.96 110.13 -104.07 -63.89 138.21 90.34 1.90 7.76 19.63 15.54 54.76 0.82 7.48 0.00 1.21 0.56 5 G C T 54.53 2.88 14.01 17.81 98.99 21.12 84.45 -4.35 88.33 3.94 7.73 18.53 14.08 55.21 0.71 7.72 0.00 3.14 0.61 6 E C C 98.56 6.25 14.13 21.72 110.55 107.21 -89.47 122.58 74.47 15.17 10.36 55.84 12.32 5.76 1.17 10.02 0.00 13.55 1.34 7 E C C 80.95 13.46 12.44 25.86 121.54 143.90 -103.10 138.87 52.28 46.56 1.16 46.99 3.50 0.83 0.30 0.71 0.00 46.69 0.97 8 V E E 47.55 11.37 16.81 29.50 123.85 -165.57 -118.95 135.74 15.43 84.44 0.14 14.66 0.71 0.09 0.06 0.05 0.00 83.82 0.61 9 I E E 82.30 10.71 17.95 29.41 118.51 -151.00 -108.92 127.06 5.70 94.27 0.03 5.60 0.15 0.01 0.01 0.01 0.00 94.05 0.16 10 F E E 38.71 16.26 16.38 33.21 122.48 -169.48 -117.85 133.61 4.20 95.78 0.02 4.09 0.11 0.01 0.01 0.00 0.00 95.71 0.07 11 V E E 71.21 9.73 21.28 31.60 118.71 -155.96 -110.33 126.40 4.91 95.07 0.02 4.73 0.15 0.01 0.01 0.01 0.00 94.93 0.16 12 V E E 12.71 20.66 15.99 37.15 116.31 -166.41 -114.87 121.16 9.45 90.52 0.03 8.99 0.34 0.03 0.01 0.01 0.00 90.38 0.24 13 P E E 58.46 6.77 24.15 31.54 108.81 -130.96 -73.82 123.86 21.05 78.79 0.15 20.55 0.51 0.08 0.08 0.05 0.00 78.05 0.68 14 I C C 10.36 23.58 13.68 37.60 98.92 -176.66 -95.46 1.08 78.92 5.73 15.36 73.14 3.41 3.26 8.21 6.33 0.00 4.53 1.14 15 N H H 73.76 9.05 17.28 27.36 92.46 100.03 -59.95 -36.19 44.29 1.73 53.99 17.51 9.10 17.51 30.88 23.25 0.08 0.95 0.73 16 K H H 131.40 2.38 19.59 21.59 92.37 54.55 -69.89 -24.88 37.42 1.25 61.33 10.39 7.27 18.52 36.98 25.48 0.15 0.66 0.54 17 I H H 30.38 15.65 12.24 28.26 95.06 60.72 -81.37 -20.15 30.13 1.48 68.38 12.50 5.85 11.36 43.88 24.95 0.08 0.87 0.52 18 K H H 79.67 13.85 12.48 26.07 94.43 75.86 -67.63 -30.03 34.36 2.40 63.24 15.48 6.60 12.41 40.37 22.75 0.12 1.35 0.93 19 K C T 150.83 1.95 15.75 17.95 94.07 60.33 -74.38 -21.57 50.12 1.21 48.67 8.29 8.46 32.21 31.94 17.46 0.27 0.64 0.74 20 R C T 170.64 1.78 15.57 17.44 99.47 44.07 -94.88 -7.44 59.64 0.71 39.66 9.05 10.81 39.44 26.47 13.21 0.11 0.34 0.57 21 V C S 35.91 13.99 8.37 22.60 126.37 71.15 -115.03 146.12 99.46 0.29 0.26 12.27 86.89 0.41 0.14 0.04 0.00 0.07 0.17 22 P C C 75.27 2.40 18.14 19.95 114.42 -101.78 -64.24 148.07 99.28 0.31 0.40 98.34 0.83 0.25 0.25 0.05 0.00 0.08 0.20 23 R H H 122.23 11.76 11.64 23.76 91.70 -113.33 -57.51 -38.02 11.33 0.04 88.62 0.80 1.08 8.33 54.28 35.46 0.01 0.02 0.02 24 W H H 170.73 3.92 16.92 21.97 91.78 56.22 -66.95 -30.38 9.31 0.04 90.65 0.42 0.61 7.56 55.33 36.02 0.02 0.02 0.02 25 K H H 114.67 4.24 19.50 24.02 95.21 46.22 -82.95 -22.73 9.10 0.07 90.83 0.80 0.74 6.59 52.66 39.14 0.01 0.04 0.02 26 R H H 34.81 17.53 16.32 33.62 93.86 59.58 -70.68 -31.60 17.23 0.20 82.57 5.41 3.02 9.26 72.72 9.37 0.03 0.07 0.13 27 A H H 10.55 20.55 17.46 37.80 92.04 66.29 -60.88 -44.93 1.70 0.00 98.30 0.34 0.17 0.93 97.98 0.56 0.00 0.00 0.00 28 P H H 67.33 5.94 25.31 31.48 91.78 50.08 -64.25 -41.01 0.61 0.00 99.39 0.10 0.03 0.36 99.07 0.43 0.00 0.00 0.00 29 R H H 93.69 6.58 26.26 33.36 91.73 49.43 -64.95 -41.47 0.14 0.00 99.86 0.02 0.01 0.08 99.66 0.24 0.00 0.00 0.00 30 A H H 2.73 23.73 20.28 44.16 91.42 50.65 -63.31 -43.14 0.10 0.00 99.90 0.01 0.00 0.05 99.88 0.06 0.00 0.00 0.00 31 A H H 11.36 20.55 22.10 41.82 91.40 50.89 -62.95 -42.26 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 32 R H H 128.23 3.56 27.02 30.64 91.58 50.40 -63.70 -41.73 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 33 F H H 55.62 11.23 24.27 35.84 91.78 49.09 -64.63 -42.39 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 34 V H H 1.80 26.67 19.63 46.65 91.36 49.48 -63.53 -43.68 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 35 R H H 75.51 16.06 22.40 37.03 91.39 51.03 -62.23 -42.31 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 36 E H H 102.00 3.11 25.71 28.14 91.67 49.76 -64.11 -42.37 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 37 W H H 46.76 12.73 21.67 35.04 92.06 48.59 -64.54 -42.99 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 38 I H H 5.63 23.43 16.57 40.31 91.89 49.12 -64.07 -42.92 0.07 0.00 99.93 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 39 A H H 37.28 10.55 18.03 29.47 91.93 50.57 -63.65 -41.52 0.23 0.00 99.77 0.01 0.01 0.20 99.70 0.08 0.00 0.00 0.00 40 R H H 153.73 1.93 20.90 22.08 92.45 47.22 -66.28 -40.27 1.65 0.00 98.35 0.02 0.04 1.69 98.08 0.16 0.00 0.00 0.00 41 H H H 76.98 11.51 17.36 29.05 95.04 42.51 -75.66 -36.20 7.56 0.00 92.44 0.10 0.28 7.30 92.09 0.21 0.00 0.00 0.00 42 A C H 22.07 16.82 13.93 30.89 98.14 33.90 -97.39 -5.18 51.17 0.29 48.54 3.74 11.81 33.27 49.90 0.87 0.05 0.07 0.28 43 K C T 160.68 1.57 20.39 21.49 93.54 -126.11 58.56 39.36 99.60 0.11 0.29 41.80 5.19 52.70 0.10 0.12 0.00 0.05 0.05 44 A C C 19.02 18.36 9.24 26.97 124.46 151.36 -98.95 154.47 98.59 0.97 0.44 95.09 2.90 0.72 0.04 0.44 0.00 0.55 0.26 45 D C S 116.41 1.73 19.85 21.19 94.76 -140.48 -78.30 -27.68 98.99 0.82 0.18 11.22 86.80 1.11 0.01 0.17 0.00 0.64 0.05 46 E E E 95.93 5.59 21.99 28.38 132.34 15.47 -142.74 143.41 33.95 65.41 0.64 22.59 9.63 1.25 0.07 0.57 0.00 65.48 0.41 47 V E E 12.62 24.01 13.73 37.73 122.97 -164.60 -123.02 130.57 5.33 94.65 0.01 5.19 0.24 0.01 0.00 0.01 0.00 94.24 0.31 48 I E E 65.45 8.40 26.58 35.53 117.07 -159.85 -108.39 125.60 2.82 97.17 0.00 2.79 0.08 0.01 0.00 0.00 0.00 96.95 0.18 49 I E E 16.31 23.70 14.95 38.47 118.85 -163.02 -108.01 128.80 8.96 91.03 0.01 9.16 0.17 0.01 0.00 0.00 0.00 89.96 0.69 50 G C C 17.33 10.01 18.97 30.30 119.49 -125.41 -77.54 161.34 94.93 5.02 0.05 94.86 0.55 0.03 0.02 0.01 0.00 4.39 0.14 51 T H H 91.25 4.91 18.03 24.22 91.60 -105.40 -61.61 -33.10 5.20 0.02 94.78 0.64 0.77 3.58 94.02 0.96 0.01 0.01 0.01 52 D H H 85.84 3.17 21.30 24.27 92.08 56.60 -64.37 -40.71 2.33 0.02 97.66 0.24 0.26 1.78 96.81 0.87 0.03 0.01 0.01 53 V H H 7.79 21.14 16.13 37.52 92.29 49.14 -64.86 -42.96 0.77 0.01 99.23 0.13 0.10 0.49 98.54 0.72 0.01 0.00 0.00 54 N H H 28.63 18.30 17.76 35.56 91.75 51.77 -63.13 -42.16 0.41 0.00 99.59 0.07 0.04 0.24 99.41 0.23 0.00 0.00 0.00 55 E H H 100.99 2.72 23.48 25.02 91.62 50.40 -63.90 -41.64 0.36 0.00 99.64 0.04 0.02 0.24 99.55 0.15 0.00 0.00 0.00 56 K H H 77.18 7.82 21.51 29.86 91.78 49.50 -65.03 -41.80 0.54 0.00 99.46 0.03 0.03 0.42 99.30 0.21 0.00 0.00 0.00 57 I H H 6.09 24.01 14.42 38.58 91.60 49.26 -63.91 -42.62 1.41 0.00 98.59 0.07 0.07 1.17 98.27 0.41 0.00 0.00 0.00 58 W H H 100.97 11.67 17.94 29.76 92.12 49.17 -66.27 -37.37 8.64 0.03 91.33 0.72 0.60 7.14 89.28 2.23 0.02 0.01 0.01 59 E H H 136.87 1.55 20.64 20.98 92.16 54.03 -67.61 -33.31 26.49 0.06 73.44 0.88 1.73 24.05 70.50 2.71 0.06 0.02 0.05 60 R H H 103.44 7.56 15.50 24.23 97.74 41.34 -93.80 -9.55 45.33 0.25 54.42 3.50 6.64 34.82 51.70 2.96 0.09 0.08 0.20 61 G C C 18.76 10.54 15.99 27.73 121.66 -132.53 79.91 -168.82 72.29 3.74 23.97 37.59 9.74 25.56 11.51 11.05 0.04 1.37 3.13 62 A C T 51.14 13.93 13.43 27.17 92.85 -50.73 -67.67 -24.84 88.66 0.64 10.70 2.72 17.54 69.41 1.78 7.71 0.01 0.31 0.53 63 E C T 145.80 1.68 18.64 19.75 93.77 55.66 -78.96 -19.40 87.14 0.65 12.21 2.71 22.66 63.54 1.59 8.65 0.01 0.31 0.53 64 K C S 120.66 4.12 18.98 23.90 112.05 28.46 -129.35 81.56 97.93 1.57 0.50 16.73 80.65 0.78 0.10 0.27 0.00 0.42 1.06 65 P C C 29.65 20.34 12.52 32.16 118.87 -155.54 -70.04 148.34 99.53 0.43 0.03 93.39 5.87 0.32 0.01 0.03 0.00 0.19 0.20 66 P C C 25.02 16.54 16.81 33.73 114.30 -102.08 -66.36 147.72 98.14 1.73 0.13 95.47 2.35 0.57 0.02 0.11 0.00 1.00 0.47 67 G C S 41.86 7.24 20.20 28.19 94.83 -145.57 -76.04 -26.35 90.77 9.13 0.10 35.79 53.94 1.41 0.01 0.12 0.00 8.21 0.52 68 K E E 101.08 5.73 22.69 29.25 136.65 18.30 -145.91 149.39 22.96 76.82 0.21 17.82 5.14 0.68 0.04 0.20 0.00 75.03 1.08 69 L E E 13.84 24.18 14.02 38.04 124.86 -162.50 -124.20 134.88 9.67 90.31 0.02 9.45 0.45 0.03 0.01 0.01 0.00 89.67 0.39 70 R E E 109.14 6.54 25.51 32.45 117.60 -147.55 -105.89 127.03 7.26 92.74 0.01 6.69 0.29 0.01 0.00 0.00 0.00 92.91 0.09 71 V E E 8.72 24.74 14.46 39.42 124.10 -170.80 -121.08 134.49 3.24 96.76 0.00 3.02 0.09 0.00 0.00 0.00 0.00 96.85 0.03 72 K E E 83.80 6.79 25.78 32.93 118.17 -157.69 -107.69 129.48 0.87 99.13 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.16 0.01 73 V E E 15.85 23.15 14.26 37.24 122.03 -163.78 -114.92 131.69 0.74 99.25 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.30 0.01 74 V E E 50.30 7.34 22.92 31.17 123.76 -169.63 -120.10 136.36 0.59 99.41 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 75 V E E 54.06 15.11 13.73 28.97 119.29 -150.70 -106.48 129.76 1.97 98.03 0.00 1.75 0.07 0.01 0.00 0.00 0.00 98.13 0.05 76 E E E 82.40 5.90 15.82 23.27 126.85 -175.63 -125.27 145.66 9.14 90.80 0.06 7.69 0.90 0.15 0.01 0.04 0.00 90.99 0.21 77 E E E 124.76 5.06 11.03 18.29 116.87 -140.92 -106.00 129.44 26.92 72.88 0.20 22.58 2.89 0.56 0.04 0.14 0.00 73.48 0.31 78 S C E 59.40 4.89 9.03 15.97 123.59 172.56 -131.59 132.62 49.93 48.96 1.11 35.15 8.12 5.71 0.19 0.93 0.00 48.85 1.05 79 E C T 176.57 0.31 11.29 9.72 94.74 -24.01 44.33 43.82 97.65 0.96 1.39 21.12 17.81 58.63 0.15 1.38 0.00 0.72 0.19 80 G C T 63.07 1.10 11.20 12.42 96.60 -44.82 80.23 0.52 97.65 1.06 1.28 24.38 19.64 53.57 0.11 1.30 0.00 0.84 0.16 81 K E E 106.98 5.04 11.59 18.64 124.46 100.90 -112.40 142.37 37.40 62.43 0.17 29.48 6.02 1.22 0.03 0.16 0.00 62.52 0.56 82 R E E 92.24 10.79 13.20 25.20 116.95 -138.28 -96.43 130.32 10.38 89.60 0.01 9.15 0.58 0.05 0.00 0.01 0.00 90.06 0.15 83 I E E 38.62 11.17 18.50 31.38 124.44 -170.47 -120.34 139.25 2.29 97.71 0.00 2.05 0.10 0.00 0.00 0.00 0.00 97.81 0.03 84 A E E 8.01 21.09 16.52 38.02 121.60 -152.74 -112.32 134.32 0.53 99.47 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 85 R E E 80.59 9.21 25.79 35.41 119.23 -160.82 -110.07 129.30 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 86 V E E 7.06 24.39 16.05 40.97 122.62 -166.66 -116.93 132.92 0.43 99.57 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.61 0.00 87 S E E 37.94 8.34 24.49 33.37 130.46 -176.17 -129.11 149.32 2.48 97.52 0.00 2.27 0.05 0.00 0.00 0.00 0.00 97.63 0.04 88 L E E 50.59 16.74 15.59 31.99 114.45 -112.10 -79.45 136.21 15.17 84.81 0.02 14.89 0.30 0.05 0.00 0.01 0.00 84.26 0.48 89 A C C 40.84 12.07 17.31 29.66 110.49 -109.13 -74.19 139.42 99.63 0.37 0.00 99.60 0.08 0.02 0.00 0.00 0.00 0.29 0.01