# 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 118.39 4.85 13.80 19.91 110.04 -142.46 -86.86 118.83 99.93 0.06 0.00 99.88 0.06 0.02 0.00 0.00 0.00 0.03 0.00 1 A C C 65.09 8.25 10.52 19.89 116.36 -150.83 -93.96 136.79 87.28 12.45 0.28 85.78 1.10 1.08 0.08 0.15 0.00 9.79 2.03 2 K C C 116.79 5.31 14.46 21.43 121.05 -154.27 -108.18 137.46 72.93 26.93 0.14 52.51 20.12 0.76 0.03 0.14 0.00 24.96 1.49 3 P C C 78.24 7.41 16.45 24.84 114.37 -105.60 -68.27 144.32 69.63 30.22 0.16 62.37 4.73 0.52 0.02 0.14 0.00 31.55 0.69 4 A E E 21.44 17.11 15.34 32.37 129.50 -165.95 -119.87 152.65 29.16 70.71 0.14 26.01 2.35 0.28 0.03 0.10 0.00 70.24 0.99 5 N E E 42.66 13.21 22.18 35.73 121.92 -132.96 -108.18 137.14 8.93 91.03 0.04 7.97 0.76 0.07 0.01 0.02 0.00 90.91 0.25 6 K E E 39.02 17.73 22.40 39.46 122.13 -154.60 -111.97 134.96 4.13 95.85 0.01 3.69 0.34 0.02 0.00 0.00 0.00 95.88 0.06 7 L E E 4.22 24.44 21.73 46.51 118.80 -155.30 -107.29 127.62 2.60 97.39 0.00 2.51 0.05 0.00 0.00 0.00 0.00 97.43 0.02 8 V E E 15.36 17.64 27.38 44.90 119.50 -160.36 -112.01 127.88 0.80 99.20 0.00 0.78 0.01 0.00 0.00 0.00 0.00 99.20 0.00 9 I E E 2.02 26.20 24.59 50.96 119.20 -165.30 -114.50 126.90 0.24 99.76 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.76 0.00 10 V E E 10.98 19.97 28.34 47.83 117.29 -159.95 -107.15 125.58 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 11 T E E 3.00 23.63 21.53 45.67 142.34 151.59 -152.23 168.02 6.63 93.37 0.01 6.07 0.29 0.01 0.00 0.00 0.00 93.47 0.15 12 E E E 42.76 12.92 22.15 35.75 114.85 -89.03 -69.89 145.39 42.83 57.14 0.03 41.92 0.86 0.03 0.01 0.02 0.00 56.75 0.42 13 K H G 101.73 10.61 17.78 29.04 91.48 -114.55 -58.44 -34.86 6.67 0.04 93.28 0.50 0.56 5.52 16.53 76.85 0.00 0.04 0.00 14 I H G 104.76 3.81 21.48 25.73 90.39 62.85 -66.73 -23.91 5.75 0.01 94.23 0.23 0.31 5.38 16.30 77.77 0.00 0.01 0.00 15 L H G 18.88 19.30 15.47 35.05 96.45 47.14 -96.33 -3.12 5.89 0.02 94.09 0.47 0.41 4.72 15.65 78.74 0.00 0.01 0.00 16 L H H 28.59 21.25 14.99 35.46 92.04 95.83 -58.24 -43.81 2.06 0.01 97.93 0.63 0.26 0.95 97.15 1.00 0.00 0.00 0.00 17 K H H 138.43 2.23 23.16 25.19 91.43 51.36 -63.93 -39.77 0.87 0.00 99.13 0.11 0.05 0.59 98.87 0.38 0.00 0.00 0.00 18 K H H 90.22 7.21 22.90 30.33 91.71 49.32 -65.35 -40.83 0.32 0.00 99.68 0.04 0.02 0.20 99.45 0.29 0.00 0.00 0.00 19 I H H 1.73 26.92 17.90 45.44 91.25 49.62 -63.97 -43.50 0.17 0.00 99.83 0.02 0.01 0.10 99.78 0.10 0.00 0.00 0.00 20 A H H 16.21 17.44 20.67 37.93 91.12 51.02 -62.26 -42.80 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 21 K H H 116.37 2.05 25.91 26.25 91.54 50.46 -63.82 -42.14 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 22 I H H 25.39 14.11 20.73 35.52 91.55 49.53 -64.00 -43.23 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 23 I H H 2.20 26.75 14.62 42.12 91.10 49.21 -63.59 -43.17 0.11 0.00 99.89 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 24 D H H 87.03 7.18 19.41 27.68 91.30 50.05 -62.81 -40.23 0.49 0.00 99.51 0.02 0.02 0.40 99.37 0.19 0.00 0.00 0.00 25 E H H 138.35 1.91 20.66 22.26 90.79 53.43 -65.87 -28.46 5.88 0.00 94.12 0.07 0.11 6.09 93.42 0.31 0.00 0.00 0.00 26 S C T 28.19 15.82 14.36 30.43 93.23 54.05 -86.14 -3.40 79.85 0.01 20.14 0.19 0.70 78.49 20.12 0.48 0.00 0.00 0.01 27 G C T 45.75 3.24 22.97 26.33 98.28 -101.74 92.35 10.18 99.91 0.01 0.09 0.76 0.63 98.57 0.03 0.01 0.00 0.00 0.00 28 A C C 7.96 24.52 9.23 32.92 115.91 154.49 -73.37 140.00 98.11 1.85 0.05 97.87 0.46 0.08 0.01 0.02 0.00 1.33 0.22 29 K C C 140.53 3.17 23.28 26.61 100.00 -164.87 -93.39 -12.67 94.01 5.81 0.18 64.83 23.52 5.45 0.02 0.23 0.00 5.48 0.46 30 G E E 22.44 10.01 23.02 33.43 147.44 -12.51 171.11 174.68 42.86 56.97 0.17 21.14 16.89 4.73 0.01 0.22 0.00 56.47 0.53 31 Y E E 60.36 21.12 15.77 35.54 137.41 -146.95 -147.58 155.84 8.91 91.05 0.04 8.41 0.51 0.05 0.01 0.02 0.00 90.35 0.64 32 T E E 50.92 11.28 21.04 32.66 126.13 -134.25 -118.67 146.04 3.26 96.73 0.02 3.11 0.12 0.02 0.01 0.01 0.00 96.33 0.42 33 V E E 70.39 13.82 16.78 30.32 105.48 -152.33 -102.73 24.86 18.05 81.79 0.16 10.65 7.68 0.44 0.04 0.11 0.00 80.51 0.57 34 M E E 85.67 7.13 18.29 26.52 129.28 81.17 -127.45 153.09 43.10 56.07 0.83 18.47 21.98 2.94 0.12 0.68 0.00 55.14 0.66 35 N C C 109.67 4.72 19.29 25.00 108.02 -93.45 -75.75 120.78 62.77 36.54 0.69 36.81 21.30 4.09 0.07 0.71 0.00 36.44 0.60 36 T C C 37.85 17.76 11.73 28.80 128.29 158.23 -124.12 151.58 56.63 42.41 0.95 46.87 6.97 2.36 0.26 0.80 0.00 39.77 2.96 37 G E E 34.36 7.01 19.86 27.69 136.05 167.54 -146.82 168.24 41.80 57.58 0.62 33.65 6.28 1.74 0.24 0.49 0.00 51.82 5.77 38 G C E 32.42 10.52 15.76 26.89 132.88 86.05 129.10 172.30 50.64 48.93 0.43 35.06 14.56 2.49 0.09 0.44 0.00 44.78 2.57 39 K C C 124.53 5.74 16.00 23.26 123.56 -117.32 -121.77 145.07 54.77 44.31 0.92 41.55 10.37 2.30 0.35 0.79 0.00 36.33 8.31 40 G C C 30.66 9.40 11.73 22.06 125.36 -145.00 -104.46 174.03 78.45 17.42 4.13 52.97 17.25 8.19 0.69 4.15 0.00 13.40 3.34 41 S C T 82.18 3.91 13.00 18.09 100.54 -75.29 -77.92 -9.99 79.81 5.59 14.60 14.39 28.49 37.63 1.20 13.14 0.01 3.56 1.58 42 R C T 168.71 2.52 12.91 16.07 100.61 34.50 -83.09 16.41 82.16 3.35 14.49 10.98 28.12 43.15 1.21 13.30 0.01 1.99 1.24 43 N C S 107.03 5.03 12.01 18.51 102.10 -74.86 38.96 41.85 79.36 12.22 8.42 27.37 36.00 17.26 1.20 7.05 0.02 7.99 3.12 44 V C C 80.93 6.53 11.63 19.83 115.20 151.87 -96.31 130.94 72.54 25.31 2.15 53.89 13.51 4.15 0.84 1.57 0.00 18.12 7.91 45 R C C 121.90 8.05 11.73 20.97 114.55 -145.80 -92.89 134.68 66.41 31.14 2.45 51.48 9.40 3.49 1.13 1.62 0.01 20.23 12.63 46 S C C 68.17 6.46 12.49 20.29 109.76 -152.33 -91.19 112.45 83.89 12.74 3.37 61.66 12.97 8.73 0.83 2.91 0.00 8.96 3.95 47 S C T 75.00 5.39 11.81 18.66 103.36 -133.87 -82.37 9.73 93.56 3.18 3.26 25.19 22.81 45.67 0.49 2.87 0.00 1.95 1.02 48 G C T 55.87 2.91 13.89 17.90 100.80 21.06 -54.25 6.55 95.51 2.00 2.49 27.70 27.85 39.90 0.31 2.42 0.00 1.14 0.68 49 Q C C 85.53 8.01 9.59 19.14 117.98 120.81 -91.06 137.55 95.59 3.83 0.58 58.43 35.56 1.74 0.18 0.39 0.00 1.62 2.09 50 P C C 90.52 4.23 12.89 18.61 109.17 -107.38 -67.42 146.26 94.90 2.36 2.74 55.47 18.90 20.46 0.52 2.40 0.00 1.37 0.89 51 N C C 98.03 6.16 11.52 19.21 113.68 -116.62 -91.37 134.77 90.78 4.15 5.07 48.48 21.42 20.99 1.12 4.00 0.00 2.11 1.88 52 T C C 85.54 6.34 11.18 18.91 104.39 -158.46 -89.83 4.74 81.13 5.65 13.22 45.80 20.09 15.50 4.11 8.83 0.02 2.76 2.91 53 S C C 78.19 3.65 12.95 17.89 102.57 80.70 -81.39 -3.26 75.71 3.61 20.68 34.71 19.95 22.17 6.80 12.80 0.02 1.75 1.80 54 D C C 91.44 5.35 14.03 20.42 103.90 60.29 -88.46 38.47 72.13 3.22 24.65 36.40 16.86 19.64 8.61 15.29 0.02 1.56 1.62 55 I C C 69.88 13.08 12.12 25.10 102.82 128.25 -83.08 -3.79 65.45 4.49 30.06 30.82 16.42 19.15 11.45 17.69 0.06 2.30 2.11 56 E C C 111.23 6.63 18.09 25.41 100.39 69.87 -83.02 -9.60 67.84 6.01 26.14 31.46 18.04 19.75 9.48 15.49 0.06 3.38 2.33 57 A C C 36.53 12.03 17.49 30.12 111.12 77.35 -86.81 124.70 77.68 7.44 14.88 46.25 20.11 12.34 4.63 9.72 0.01 5.26 1.68 58 N C C 39.78 14.34 19.94 34.31 106.98 86.11 -91.78 71.97 70.09 27.19 2.72 44.65 20.91 5.04 0.49 2.20 0.00 25.45 1.26 59 I E E 14.95 21.06 19.44 40.48 122.29 87.92 -114.24 132.96 9.42 90.53 0.05 8.31 0.77 0.07 0.01 0.03 0.00 90.50 0.30 60 K E E 39.82 15.39 25.76 40.87 122.86 -165.29 -117.19 132.10 0.71 99.28 0.00 0.61 0.03 0.00 0.00 0.00 0.00 99.35 0.02 61 F E E 6.57 24.84 22.32 47.17 120.06 -162.13 -112.92 128.36 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 62 E E E 25.07 17.25 27.42 44.26 118.81 -164.72 -111.82 126.67 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 63 I E E 3.76 25.25 23.83 48.95 119.76 -165.63 -113.64 127.44 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 64 L E E 20.88 17.30 27.07 44.02 115.48 -155.45 -102.97 124.66 1.06 98.93 0.00 0.97 0.03 0.00 0.00 0.00 0.00 98.96 0.04 65 T E E 6.46 22.00 16.89 39.36 136.59 169.47 -139.89 159.28 35.43 64.55 0.02 34.30 0.78 0.05 0.00 0.01 0.00 64.28 0.58 66 E C S 117.35 6.07 21.43 28.41 93.95 -129.86 -78.01 -20.76 99.04 0.91 0.05 14.68 83.99 0.53 0.01 0.02 0.00 0.69 0.08 67 T C C 60.39 5.89 20.28 26.88 122.48 52.91 -113.69 139.59 98.44 0.45 1.11 57.42 39.92 1.10 0.95 0.18 0.00 0.14 0.29 68 R H H 123.88 10.82 14.56 26.11 92.75 -139.79 -61.40 -37.46 4.10 0.01 95.89 0.82 0.70 2.36 94.30 1.80 0.01 0.00 0.01 69 E H H 127.85 1.57 22.32 22.34 91.57 54.49 -63.69 -40.59 3.10 0.01 96.89 0.54 0.37 2.06 95.12 1.89 0.01 0.01 0.00 70 M H H 37.06 12.67 18.68 32.26 92.04 48.39 -65.92 -40.83 1.23 0.01 98.76 0.28 0.14 0.72 96.91 1.95 0.00 0.00 0.00 71 A H H 2.52 25.03 14.69 40.16 91.00 51.78 -62.43 -43.60 0.27 0.00 99.73 0.06 0.02 0.12 99.67 0.12 0.00 0.00 0.00 72 E H H 88.17 7.63 23.88 31.84 91.25 50.83 -63.48 -41.52 0.13 0.00 99.87 0.02 0.00 0.06 99.88 0.03 0.00 0.00 0.00 73 E H H 91.56 4.03 26.09 29.87 91.46 49.99 -63.93 -42.25 0.11 0.00 99.88 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 74 I H H 3.77 23.81 20.71 44.62 91.52 49.22 -63.77 -43.98 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 75 A H H 5.67 23.01 20.54 43.10 91.01 51.13 -62.27 -43.18 0.12 0.00 99.88 0.01 0.01 0.06 99.92 0.01 0.00 0.00 0.00 76 D H H 80.67 3.86 25.83 29.61 91.47 50.20 -63.87 -41.55 0.23 0.00 99.77 0.02 0.01 0.14 99.82 0.01 0.00 0.00 0.00 77 R H H 80.68 8.18 23.54 32.15 91.65 49.24 -64.86 -42.11 0.33 0.00 99.67 0.02 0.02 0.26 99.68 0.02 0.00 0.00 0.00 78 V H H 2.66 25.15 17.04 42.72 91.40 49.09 -63.69 -43.57 0.56 0.00 99.44 0.06 0.05 0.42 99.41 0.06 0.00 0.00 0.00 79 A H H 25.83 16.45 17.67 33.77 92.05 50.42 -64.10 -40.25 0.91 0.00 99.09 0.07 0.05 0.75 98.93 0.19 0.01 0.00 0.00 80 V H H 98.00 2.31 20.87 22.43 95.31 43.30 -74.08 -38.33 2.89 0.01 97.11 0.08 0.13 2.80 96.65 0.32 0.02 0.00 0.00 81 K H H 106.26 5.40 19.39 25.32 100.89 32.39 -91.12 -36.74 10.89 0.02 89.09 0.17 0.47 10.74 88.06 0.51 0.04 0.00 0.01 82 Y H H 37.35 17.32 14.72 31.96 104.98 26.71 -106.72 -28.85 38.82 0.48 60.69 2.27 5.31 31.15 59.29 1.20 0.28 0.15 0.36 83 F C C 37.88 18.61 11.39 29.03 100.78 51.18 -96.79 -4.04 68.94 5.19 25.87 38.37 10.36 20.75 17.90 7.18 0.12 2.43 2.88 84 N C T 120.14 2.13 17.76 20.28 95.31 81.32 -69.10 -29.77 74.70 1.04 24.26 7.26 11.75 55.05 10.82 13.60 0.08 0.53 0.91 85 D C T 104.58 3.25 17.04 20.89 100.69 25.63 -97.61 -4.11 73.77 0.58 25.65 4.44 12.19 57.70 10.32 14.47 0.05 0.30 0.52 86 Y C S 67.21 15.39 13.69 28.72 130.65 42.31 -126.07 154.43 68.81 9.76 21.43 21.88 29.05 20.44 9.16 9.87 0.36 5.09 4.15 87 A C C 49.08 8.31 21.16 29.85 113.79 -126.08 -87.04 135.68 81.79 16.77 1.44 61.92 12.73 6.04 0.51 0.92 0.00 16.69 1.20 88 G E E 14.04 16.42 18.98 34.98 140.94 93.90 162.71 -169.99 45.54 54.01 0.46 32.19 12.15 1.43 0.14 0.32 0.00 52.97 0.80 89 I E E 60.67 10.58 24.94 36.07 122.83 -85.78 -116.31 134.63 5.49 94.45 0.06 5.00 0.38 0.04 0.02 0.02 0.00 94.27 0.26 90 I E E 22.94 22.84 17.24 39.56 122.14 -162.15 -114.35 130.97 1.00 98.99 0.01 0.90 0.04 0.01 0.00 0.00 0.00 99.01 0.04 91 Y E E 70.35 11.33 24.42 35.95 127.85 -172.78 -123.99 141.42 0.51 99.48 0.01 0.45 0.02 0.00 0.00 0.00 0.00 99.51 0.01 92 I E E 49.72 19.15 17.82 35.83 121.43 -158.85 -115.63 129.17 1.20 98.78 0.02 1.07 0.06 0.01 0.01 0.00 0.00 98.81 0.05 93 C E E 39.48 10.90 20.06 31.83 132.68 176.67 -132.99 151.96 8.68 91.17 0.14 7.65 0.82 0.12 0.05 0.06 0.00 91.07 0.23 94 S E E 63.98 6.39 21.88 28.71 113.60 -99.99 -69.59 141.58 22.91 76.62 0.48 20.28 1.90 0.37 0.18 0.20 0.00 76.68 0.39 95 A C C 21.09 21.95 11.17 31.91 128.24 -165.86 -125.37 144.89 50.62 45.73 3.65 46.11 2.25 1.06 2.20 1.17 0.00 46.00 1.21 96 E E E 110.34 4.11 22.27 26.77 120.55 -151.56 -113.35 134.25 35.86 57.41 6.72 29.65 3.89 2.07 5.03 2.07 0.03 54.86 2.41 97 V E E 56.30 15.44 12.53 27.85 112.55 -136.67 -93.11 121.12 33.40 59.03 7.57 28.80 2.57 1.59 5.65 2.21 0.03 56.18 2.98 98 L C C 90.34 5.44 16.24 23.01 100.42 -177.93 -89.48 -30.87 54.99 36.16 8.85 34.73 15.49 5.53 5.29 3.61 0.12 32.87 2.36 99 Y C C 122.12 5.06 15.81 21.96 124.83 9.67 -137.48 130.72 63.75 24.87 11.38 34.10 21.16 10.21 5.96 5.21 0.18 20.35 2.83 100 G C C 37.95 10.39 11.95 22.68 108.14 -161.14 -54.70 -19.67 67.24 7.32 25.44 32.83 18.95 17.34 7.73 16.39 0.04 5.07 1.65 101 H C C 140.87 3.32 15.51 19.95 99.84 66.06 -85.43 -11.19 60.58 5.04 34.37 24.07 18.17 20.66 9.38 22.97 0.06 3.13 1.56 102 T C C 81.33 5.26 16.04 22.30 109.88 57.04 -98.58 79.94 58.21 9.64 32.16 31.35 12.67 16.44 8.90 21.69 0.09 6.57 2.31 103 F C C 75.73 15.21 10.59 25.18 114.88 100.36 -95.92 127.98 64.42 16.60 18.98 42.07 12.54 9.96 7.82 10.93 0.07 10.93 5.68 104 C C C 73.55 6.89 14.70 22.81 109.85 151.67 -103.90 63.59 80.93 12.64 6.43 53.16 19.81 7.68 3.71 2.89 0.01 7.78 4.96 105 G C C 29.65 7.83 13.27 22.38 129.12 -114.90 145.86 177.41 91.04 4.72 4.24 54.72 29.58 7.10 1.29 2.80 0.00 2.77 1.73 106 P C T 98.54 3.85 13.15 18.27 102.37 -52.47 -69.71 10.87 82.72 1.67 15.61 31.99 17.56 33.06 2.01 13.81 0.00 0.87 0.71 107 E C T 144.95 2.49 11.98 15.99 104.20 9.51 -82.86 36.04 83.07 1.98 14.94 26.61 15.38 41.12 1.93 13.05 0.00 1.08 0.82 108 G C C 48.24 4.76 12.04 18.31 110.62 -39.18 85.46 -4.23 87.68 1.80 10.52 60.35 4.73 22.88 1.47 8.74 0.00 1.10 0.73 109 C C C 64.12 11.22 11.94 23.38 107.84 33.20 -91.27 76.44 99.68 0.28 0.04 99.54 0.17 0.07 0.01 0.01 0.00 0.15 0.04