# 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 109.31 7.55 14.33 22.89 114.84 -159.43 -97.61 126.19 99.78 0.21 0.01 99.82 0.04 0.01 0.00 0.00 0.00 0.12 0.01 1 M C C 100.80 8.08 12.16 21.44 116.66 -161.01 -98.49 133.11 81.22 15.68 3.10 78.96 0.86 1.99 1.84 0.82 0.00 13.30 2.23 2 T C C 85.88 5.40 14.22 21.18 117.15 -154.96 -100.16 135.33 66.86 28.45 4.69 50.96 10.42 4.51 3.06 1.90 0.01 25.64 3.50 3 I C C 55.58 15.06 11.23 26.25 118.65 -156.81 -104.22 134.62 62.25 32.62 5.13 49.08 9.60 2.52 4.00 1.75 0.02 28.07 4.96 4 S C C 50.42 5.19 17.02 23.09 119.16 -135.22 -86.61 157.07 75.75 19.08 5.17 67.12 5.76 1.77 4.40 1.31 0.00 17.26 2.37 5 K H H 122.39 7.87 13.50 22.58 92.58 -114.17 -61.51 -32.88 35.25 4.41 60.33 15.30 8.46 13.17 47.54 10.82 0.29 3.50 0.94 6 T H H 90.93 2.49 16.91 19.61 93.19 55.96 -67.51 -34.18 36.33 2.68 60.99 11.51 7.91 17.59 48.74 11.27 0.24 2.05 0.70 7 D H H 51.99 10.52 15.58 26.86 94.49 52.58 -71.38 -33.55 32.85 4.92 62.23 17.43 6.10 10.52 48.13 12.74 0.14 3.89 1.05 8 I H H 36.55 16.90 14.09 30.63 93.73 57.45 -66.47 -38.90 22.86 7.28 69.87 14.64 4.38 5.99 59.90 7.28 0.12 6.60 1.10 9 D H H 80.19 5.87 19.19 25.69 92.98 56.21 -66.35 -36.56 23.10 8.37 68.53 12.63 3.89 7.70 58.74 7.77 0.16 8.04 1.06 10 C H H 56.08 7.07 18.50 26.29 93.77 52.47 -71.55 -37.51 25.59 7.21 67.19 10.41 4.61 11.49 55.91 9.57 0.33 6.59 1.08 11 Y H H 61.85 15.20 17.05 31.89 94.35 52.81 -69.80 -36.24 28.45 8.66 62.90 11.92 5.70 12.67 52.45 7.95 0.52 7.19 1.61 12 L H H 55.94 14.83 17.17 31.38 95.30 55.08 -74.76 -26.08 39.76 7.67 52.56 15.48 7.56 18.44 44.11 6.43 0.47 5.73 1.79 13 Q C T 99.30 6.95 20.27 27.52 97.68 55.95 -82.65 -19.87 63.33 3.99 32.68 13.09 11.55 37.67 27.75 5.87 0.22 2.67 1.17 14 T C T 52.30 11.27 19.59 30.82 108.00 43.23 -103.74 -9.42 75.14 7.98 16.88 17.23 17.37 40.61 11.37 5.37 0.12 6.77 1.17 15 Y E E 54.59 17.31 19.43 35.67 116.85 35.87 -112.79 133.57 43.45 53.69 2.87 22.30 14.91 8.05 1.02 1.58 0.02 50.97 1.16 16 V E E 25.82 18.45 20.55 38.60 121.27 -162.99 -113.29 130.89 8.78 91.06 0.16 6.56 1.73 0.27 0.07 0.07 0.00 91.03 0.28 17 V E E 28.08 16.21 22.19 38.41 118.95 -159.68 -110.22 129.17 1.81 98.16 0.02 1.57 0.10 0.02 0.01 0.01 0.00 98.23 0.07 18 I E E 42.20 16.47 19.52 35.81 117.82 -164.64 -109.10 124.75 1.60 98.39 0.01 1.39 0.09 0.01 0.00 0.00 0.00 98.43 0.07 19 D E E 55.04 9.91 19.61 30.24 119.64 -174.37 -120.93 122.73 7.04 92.94 0.02 5.80 0.62 0.06 0.00 0.01 0.00 93.44 0.07 20 P E E 72.59 8.82 15.60 25.43 113.45 -123.32 -71.85 138.36 17.46 82.35 0.18 14.06 2.39 0.50 0.04 0.11 0.00 82.63 0.27 21 V E E 54.73 10.53 10.68 22.21 125.80 -172.22 -114.22 165.78 31.95 66.60 1.44 22.05 8.13 4.20 0.34 1.15 0.00 61.36 2.77 22 S C T 101.08 0.76 13.68 13.60 94.32 -85.65 -65.89 -26.25 95.79 2.57 1.65 4.20 20.51 71.00 0.09 1.72 0.00 2.14 0.35 23 N C T 115.93 2.59 13.78 17.17 99.26 40.15 -94.88 6.59 97.76 0.74 1.51 3.26 20.49 73.89 0.08 1.60 0.00 0.51 0.16 24 G E E 23.71 7.77 16.07 25.16 125.48 -78.38 118.12 -171.42 37.76 61.82 0.43 11.38 22.14 5.93 0.05 0.41 0.00 59.13 0.96 25 W E E 66.96 14.76 15.90 31.00 123.89 -2.58 -106.45 142.68 12.10 87.86 0.04 10.29 1.12 0.14 0.01 0.02 0.00 88.14 0.27 26 Q E E 33.02 14.82 20.69 36.13 128.03 -167.85 -125.99 143.26 1.91 98.07 0.02 1.64 0.18 0.03 0.00 0.01 0.00 98.00 0.15 27 W E E 38.95 18.52 22.01 40.01 126.49 -150.70 -114.68 141.98 2.40 97.58 0.02 2.00 0.21 0.03 0.01 0.01 0.00 97.64 0.10 28 G E E 5.71 18.58 23.42 41.68 136.96 171.91 -143.67 163.56 6.28 93.66 0.06 5.16 0.76 0.11 0.01 0.03 0.00 93.76 0.18 29 I E E 23.93 17.96 21.36 39.34 122.22 -127.60 -113.70 135.33 12.97 86.78 0.24 11.37 1.50 0.24 0.14 0.12 0.00 84.43 2.21 30 D C C 25.78 16.07 17.47 33.83 115.60 -132.06 -83.23 142.41 57.54 41.52 0.94 50.09 4.58 1.37 0.29 0.58 0.00 41.15 1.93 31 E C T 117.53 7.60 17.80 26.41 94.29 -134.51 -69.26 -19.38 86.75 7.64 5.60 12.21 19.50 55.27 0.77 4.65 0.01 6.41 1.19 32 N C T 101.66 3.98 17.54 22.23 96.63 59.74 -86.03 -2.48 90.66 3.03 6.31 7.99 21.24 61.50 0.79 5.40 0.01 2.06 1.02 33 G C S 33.20 11.57 14.28 25.97 103.67 -108.31 82.10 13.46 86.30 7.80 5.91 29.01 35.72 22.12 0.83 5.22 0.01 4.53 2.56 34 V C C 72.92 9.33 15.04 25.28 108.64 140.05 -89.74 105.58 81.71 11.68 6.61 33.50 22.23 27.03 1.36 5.06 0.02 6.80 3.98 35 G C T 46.06 6.13 16.62 23.58 108.40 -19.13 85.31 14.82 80.86 11.41 7.73 23.99 23.61 34.45 1.34 6.10 0.03 7.19 3.28 36 G C C 37.76 8.86 15.92 25.32 113.59 8.59 90.57 -156.90 80.99 9.54 9.47 29.74 26.63 25.93 1.54 7.62 0.02 6.03 2.48 37 A C C 61.36 7.48 17.86 25.98 109.13 -13.59 -85.90 107.92 75.48 15.37 9.15 29.82 27.33 20.27 2.11 6.52 0.05 10.69 3.21 38 L C C 71.06 13.41 16.06 29.26 110.77 -112.70 -82.79 110.49 62.34 30.32 7.34 33.27 16.95 14.22 2.13 5.05 0.06 24.57 3.75 39 H C E 77.24 12.27 18.39 30.81 112.79 143.03 -103.03 107.69 50.78 44.63 4.59 32.20 12.22 8.88 1.60 3.19 0.05 37.39 4.46 40 H E E 86.54 11.57 19.80 31.24 121.26 -128.55 -108.36 135.56 46.13 50.57 3.30 23.28 14.68 12.33 0.88 2.42 0.05 43.02 3.34 41 G C E 16.80 15.15 18.61 33.46 136.78 142.83 -162.78 177.03 50.70 48.16 1.14 24.40 20.66 7.78 0.16 1.00 0.00 44.90 1.11 42 R E E 105.31 9.04 24.31 33.59 123.32 -105.28 -115.01 138.27 32.48 66.91 0.61 22.12 9.23 2.37 0.10 0.54 0.00 64.91 0.73 43 V E E 15.24 23.62 16.12 39.52 123.82 -161.47 -116.60 134.33 10.16 89.80 0.04 8.87 0.94 0.08 0.01 0.03 0.00 89.86 0.22 44 E E E 62.38 10.04 25.81 36.23 122.76 -166.72 -116.34 134.51 1.81 98.18 0.00 1.59 0.09 0.01 0.00 0.00 0.00 98.28 0.03 45 M E E 33.00 20.56 17.40 37.41 120.58 -156.08 -111.22 131.49 0.61 99.39 0.00 0.54 0.01 0.00 0.00 0.00 0.00 99.43 0.01 46 V E E 44.39 10.54 21.34 32.84 124.26 -170.52 -120.75 134.30 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 47 E E E 92.58 10.78 15.69 27.11 116.74 -138.92 -96.58 129.85 3.47 96.52 0.01 3.10 0.20 0.02 0.00 0.00 0.00 96.45 0.22 48 G C C 21.71 10.26 10.75 22.47 125.04 -147.01 -89.72 175.93 87.95 11.93 0.12 86.00 1.31 0.27 0.02 0.08 0.00 11.68 0.63 49 E C T 170.60 0.62 12.75 12.51 91.55 -90.11 -64.71 -23.90 96.46 1.46 2.08 1.04 8.34 86.88 0.05 2.36 0.00 1.10 0.22 50 N C T 115.29 1.90 13.20 15.59 94.25 54.30 -88.15 4.31 97.58 0.18 2.24 0.69 6.92 89.57 0.04 2.62 0.00 0.11 0.05 51 G C S 35.10 6.77 14.10 22.52 98.03 -101.21 88.69 5.61 96.62 1.39 1.99 15.58 74.14 6.98 0.12 1.89 0.00 0.95 0.35 52 Y C C 71.39 10.84 15.56 27.82 119.41 130.64 -87.28 143.86 69.98 29.93 0.09 65.38 3.74 0.33 0.03 0.08 0.00 28.17 2.27 53 F E E 39.02 16.86 18.01 35.15 122.75 -153.82 -113.67 137.70 1.17 98.83 0.00 1.03 0.10 0.01 0.00 0.00 0.00 98.60 0.26 54 G E E 11.20 14.87 23.15 38.31 132.53 -171.02 -130.03 153.48 0.55 99.45 0.00 0.43 0.05 0.00 0.00 0.00 0.00 99.51 0.01 55 L E E 18.23 21.80 19.28 40.77 126.83 -152.75 -123.53 138.22 0.88 99.11 0.00 0.77 0.04 0.00 0.00 0.00 0.00 99.17 0.03 56 R E E 91.21 11.48 24.38 35.78 127.06 -167.16 -122.06 139.53 5.46 94.51 0.03 4.54 0.60 0.09 0.01 0.02 0.00 94.52 0.22 57 G E E 13.92 19.03 16.51 34.66 131.89 -153.95 -126.00 163.66 29.98 69.83 0.18 22.15 6.88 1.04 0.03 0.16 0.00 69.20 0.54 58 A C E 52.89 8.30 21.96 30.58 119.30 -119.65 -104.76 149.59 54.34 45.33 0.33 26.84 25.01 3.55 0.04 0.33 0.00 43.20 1.04 59 T C C 70.03 10.04 18.08 28.27 117.72 -105.57 -97.27 135.85 70.15 29.54 0.31 36.53 30.91 4.24 0.05 0.35 0.00 25.81 2.12 60 H C C 46.26 14.68 12.72 27.89 123.37 -161.58 -116.05 138.60 77.98 21.89 0.13 70.66 7.06 0.34 0.06 0.09 0.00 16.39 5.40 61 P C S 98.85 3.13 17.26 21.06 93.66 -134.32 -68.11 -27.96 98.89 1.04 0.08 14.97 82.97 1.15 0.02 0.04 0.00 0.72 0.13 62 T C S 64.21 2.96 19.67 22.20 135.61 11.89 -141.80 163.64 97.69 1.48 0.84 26.36 70.39 1.07 0.73 0.13 0.00 0.35 0.97 63 E H H 89.20 13.43 12.52 25.97 91.69 -110.40 -59.64 -37.99 2.60 0.01 97.39 0.57 0.72 1.26 96.67 0.77 0.00 0.00 0.00 64 K H H 140.14 2.38 18.93 21.56 91.91 53.59 -63.52 -40.75 1.22 0.01 98.78 0.21 0.16 0.76 98.20 0.66 0.01 0.00 0.00 65 E H H 93.27 4.28 20.24 24.75 91.93 47.74 -66.66 -39.61 0.52 0.00 99.48 0.12 0.07 0.29 98.95 0.56 0.00 0.00 0.00 66 A H H 8.65 18.70 15.01 34.37 91.49 51.45 -62.88 -43.08 0.20 0.00 99.79 0.05 0.02 0.10 99.76 0.08 0.00 0.00 0.00 67 M H H 50.86 14.88 20.82 35.20 91.71 50.01 -63.80 -41.96 0.18 0.00 99.82 0.03 0.01 0.09 99.83 0.03 0.00 0.00 0.00 68 A H H 56.24 3.72 25.22 28.41 91.55 50.16 -63.69 -42.24 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 69 A H H 30.54 9.67 23.12 33.54 91.82 49.31 -64.93 -41.49 0.40 0.00 99.59 0.04 0.02 0.26 99.63 0.05 0.00 0.00 0.00 70 A H H 7.18 22.13 19.11 41.12 91.83 50.46 -63.84 -42.66 1.07 0.00 98.93 0.10 0.05 0.74 99.01 0.09 0.00 0.00 0.00 71 L H H 59.56 11.41 23.09 34.40 91.68 50.51 -63.65 -41.40 0.95 0.00 99.05 0.14 0.06 0.58 99.09 0.14 0.00 0.00 0.00 72 G H H 32.11 3.83 24.25 27.84 91.62 51.08 -63.44 -42.17 1.39 0.00 98.61 0.15 0.06 1.02 98.57 0.20 0.00 0.00 0.00 73 Y H H 46.23 13.88 20.66 34.82 92.25 49.03 -64.87 -42.42 1.16 0.00 98.84 0.17 0.09 0.83 98.42 0.50 0.00 0.00 0.00 74 L H H 19.88 20.64 17.27 37.44 91.79 50.53 -63.65 -41.63 0.83 0.00 99.17 0.10 0.05 0.59 98.46 0.78 0.00 0.00 0.00 75 W H H 137.83 5.48 20.70 26.61 91.88 50.47 -64.83 -38.96 1.90 0.00 98.09 0.12 0.10 1.63 96.50 1.65 0.00 0.00 0.00 76 R H H 139.34 3.27 20.83 24.06 92.12 51.99 -68.78 -31.71 10.63 0.01 89.37 0.19 0.33 10.53 87.47 1.45 0.01 0.00 0.00 77 C H H 24.19 16.33 14.43 31.21 99.79 40.95 -102.14 -0.98 40.56 0.07 59.37 2.19 2.46 34.71 58.65 1.89 0.02 0.02 0.06 78 R H H 90.44 14.97 15.68 29.97 94.06 102.10 -61.30 -42.30 13.95 0.19 85.86 8.23 2.56 3.75 83.70 1.61 0.00 0.07 0.07 79 Q H H 122.06 2.20 20.43 22.26 92.87 51.53 -65.46 -39.22 4.50 0.03 95.47 1.52 0.62 2.31 94.09 1.42 0.00 0.02 0.01 80 D H H 72.54 6.16 20.19 26.74 93.33 48.15 -68.17 -39.08 2.16 0.03 97.81 0.92 0.26 1.01 96.53 1.25 0.00 0.02 0.00 81 L H H 29.98 17.12 16.96 33.84 93.06 50.12 -65.72 -42.40 0.84 0.01 99.14 0.32 0.10 0.39 98.71 0.46 0.00 0.01 0.00 82 V H H 50.62 10.19 19.59 30.37 92.18 49.55 -63.93 -42.47 0.77 0.02 99.22 0.25 0.08 0.40 99.01 0.25 0.00 0.01 0.00 83 A H H 51.48 3.05 21.51 24.02 91.62 50.23 -63.60 -42.14 1.12 0.02 98.86 0.30 0.11 0.64 98.65 0.27 0.00 0.01 0.00 84 I H H 59.00 7.82 19.77 28.63 92.04 48.85 -64.97 -42.14 2.26 0.03 97.71 0.54 0.23 1.40 97.41 0.39 0.01 0.01 0.01 85 A H H 24.95 14.50 16.70 31.63 92.33 50.05 -65.27 -41.14 4.93 0.04 95.03 1.12 0.54 3.09 94.78 0.43 0.01 0.01 0.02 86 R H H 129.72 5.10 19.73 25.34 92.02 49.77 -64.92 -40.37 10.13 0.06 89.81 1.82 1.14 6.78 89.66 0.55 0.01 0.02 0.03 87 N H H 90.56 2.70 20.51 22.44 93.33 48.30 -67.60 -40.48 13.26 0.09 86.66 3.90 1.85 7.04 86.47 0.67 0.01 0.03 0.04 88 D H H 66.10 6.69 18.88 26.23 92.79 49.61 -66.94 -39.67 8.57 0.08 91.34 4.59 1.05 2.94 90.72 0.64 0.00 0.04 0.03 89 A H H 34.43 10.01 16.02 27.04 92.48 52.20 -64.78 -41.94 3.24 0.05 96.71 1.69 0.40 1.18 96.17 0.52 0.00 0.03 0.01 90 I H H 87.04 3.12 19.49 22.34 91.93 49.89 -64.25 -42.36 1.58 0.04 98.38 0.73 0.19 0.65 98.00 0.40 0.00 0.02 0.00 91 E H H 99.14 2.59 19.54 21.63 91.95 49.76 -64.54 -41.36 1.40 0.04 98.57 0.57 0.16 0.63 98.22 0.39 0.00 0.02 0.00 92 A H H 34.25 7.20 15.21 24.13 91.71 50.92 -64.34 -41.08 1.60 0.03 98.37 0.57 0.17 0.77 98.06 0.38 0.00 0.02 0.00 93 E H H 88.87 4.69 16.31 21.73 91.80 51.41 -64.02 -40.90 1.74 0.03 98.23 0.61 0.18 0.86 97.92 0.40 0.00 0.02 0.00 94 K H H 119.87 1.77 16.63 17.82 92.10 50.72 -65.07 -40.57 2.77 0.04 97.19 0.89 0.27 1.49 96.73 0.59 0.00 0.03 0.01 95 Y H H 118.96 3.15 13.88 17.95 92.44 50.27 -65.97 -40.34 4.32 0.06 95.62 1.46 0.48 2.33 94.77 0.91 0.00 0.03 0.02 96 R H H 134.71 4.04 12.47 17.52 92.45 51.50 -66.00 -37.89 8.13 0.09 91.78 2.29 0.93 4.68 90.87 1.16 0.01 0.04 0.03 97 A H H 80.70 1.60 11.23 13.48 93.07 53.52 -68.93 -29.33 22.56 0.16 77.28 4.77 2.18 14.66 76.89 1.33 0.01 0.06 0.09 98 K H H 154.62 1.21 10.74 12.34 97.45 56.68 -80.40 -12.45 48.56 0.31 51.13 20.23 1.55 24.38 52.36 1.18 0.00 0.10 0.20 99 A C C 70.59 4.77 10.30 16.66 106.01 89.44 -77.89 79.03 99.89 0.02 0.10 99.65 0.09 0.16 0.09 0.00 0.00 0.01 0.00