# 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 108.30 7.10 14.94 23.03 112.53 11.56 -94.65 121.69 99.79 0.20 0.00 99.78 0.07 0.01 0.00 0.00 0.00 0.13 0.01 1 Q C C 84.91 9.66 14.68 25.17 121.56 -156.43 -106.65 139.45 51.88 48.05 0.07 50.39 0.82 0.17 0.01 0.04 0.00 47.83 0.73 2 K E E 100.57 9.24 17.76 27.96 127.77 -164.67 -121.12 144.05 16.42 83.53 0.04 14.67 1.45 0.11 0.01 0.03 0.00 83.23 0.49 3 A E E 10.75 20.70 15.05 35.75 127.95 -165.21 -124.76 145.02 4.44 95.55 0.01 4.24 0.17 0.01 0.00 0.00 0.00 95.45 0.12 4 R E E 99.98 8.57 24.38 33.32 120.17 -151.68 -114.00 129.96 2.13 97.87 0.00 2.00 0.08 0.00 0.00 0.00 0.00 97.88 0.03 5 I E E 7.38 24.77 16.52 41.74 120.27 -164.15 -113.50 128.54 1.35 98.65 0.00 1.39 0.02 0.00 0.00 0.00 0.00 98.56 0.02 6 K E E 83.25 8.82 26.70 35.91 118.45 -163.82 -111.81 126.41 1.01 98.99 0.00 1.01 0.02 0.00 0.00 0.00 0.00 98.94 0.03 7 L E E 5.74 25.51 16.86 42.84 122.14 -169.26 -115.36 133.65 3.49 96.51 0.01 3.59 0.06 0.01 0.00 0.00 0.00 96.22 0.13 8 A E E 38.91 9.92 26.03 36.21 127.16 -171.30 -122.25 143.27 16.47 83.49 0.04 15.26 0.94 0.07 0.01 0.02 0.00 83.16 0.54 9 S C E 13.96 19.06 15.45 34.73 140.57 150.72 -155.35 160.84 51.63 48.27 0.10 46.22 4.10 0.31 0.02 0.09 0.00 47.52 1.74 10 T C S 87.53 6.17 19.85 27.02 96.27 -137.50 -89.84 -11.26 99.19 0.77 0.04 6.12 92.79 0.54 0.01 0.02 0.00 0.44 0.08 11 N C C 73.05 6.65 18.62 26.48 108.70 80.11 -100.00 106.51 99.35 0.51 0.14 75.36 23.73 0.33 0.08 0.04 0.00 0.19 0.27 12 I H H 73.99 13.57 13.66 27.65 93.68 -171.92 -63.24 -37.08 2.49 0.01 97.50 0.56 0.39 1.31 96.87 0.85 0.00 0.00 0.00 13 K H H 145.86 1.31 20.97 20.87 91.86 53.95 -64.32 -40.90 1.52 0.00 98.47 0.17 0.14 1.09 97.55 1.04 0.00 0.00 0.00 14 A H H 32.62 8.85 18.51 28.78 92.00 48.88 -65.68 -40.25 1.00 0.01 99.00 0.21 0.08 0.60 97.87 1.23 0.00 0.00 0.00 15 L H H 6.15 23.96 13.86 37.86 91.52 51.73 -63.35 -42.97 0.37 0.00 99.63 0.07 0.03 0.18 99.50 0.22 0.00 0.00 0.00 16 N H H 72.66 8.39 22.27 30.93 91.46 51.09 -63.52 -40.88 0.24 0.00 99.76 0.04 0.01 0.12 99.79 0.04 0.00 0.00 0.00 17 E H H 105.64 2.43 25.51 26.59 91.47 50.22 -64.44 -41.80 0.19 0.00 99.81 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 18 V H H 11.69 18.62 20.76 39.50 91.74 49.13 -64.28 -43.51 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.03 0.00 0.00 0.00 19 T H H 8.35 21.80 19.42 41.02 91.42 50.52 -62.71 -42.78 0.14 0.00 99.86 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 20 D H H 78.26 3.51 25.43 28.47 91.42 50.88 -63.52 -41.70 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 21 Q H H 70.12 7.74 23.74 31.84 91.58 50.02 -64.51 -42.20 0.15 0.00 99.85 0.01 0.00 0.12 99.85 0.02 0.00 0.00 0.00 22 I H H 3.72 25.60 18.34 44.18 91.84 49.68 -64.06 -42.97 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 23 K H H 74.32 14.38 21.47 34.88 91.30 51.66 -62.09 -42.41 0.08 0.00 99.92 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 24 Q H H 101.84 2.01 25.24 25.28 91.64 49.94 -63.74 -41.65 0.22 0.00 99.78 0.02 0.01 0.13 99.83 0.02 0.00 0.00 0.00 25 I H H 26.10 12.85 19.88 33.87 91.84 49.20 -64.32 -42.82 0.36 0.00 99.64 0.02 0.02 0.24 99.69 0.04 0.00 0.00 0.00 26 A H H 5.39 21.90 13.62 35.81 91.46 51.20 -63.48 -42.38 0.57 0.00 99.43 0.07 0.03 0.35 99.44 0.11 0.00 0.00 0.00 27 E H H 126.30 3.43 18.63 23.04 91.64 50.57 -63.83 -39.82 1.47 0.00 98.53 0.17 0.07 1.09 98.09 0.56 0.00 0.00 0.00 28 R H H 161.98 2.13 18.13 20.18 91.35 52.68 -66.70 -29.59 5.75 0.01 94.24 0.17 0.23 5.34 93.69 0.55 0.01 0.00 0.00 29 T H H 46.08 12.73 13.19 26.58 95.24 47.52 -91.98 -1.33 28.90 0.05 71.05 0.67 1.67 26.29 70.41 0.86 0.03 0.01 0.04 30 G C T 56.00 1.60 20.43 20.92 95.79 -107.39 82.93 14.02 99.83 0.05 0.12 13.47 3.81 82.59 0.04 0.04 0.00 0.03 0.01 31 V C C 23.83 20.25 8.97 28.40 118.39 143.65 -90.98 137.26 97.92 2.06 0.02 95.95 2.04 0.07 0.00 0.01 0.00 1.81 0.11 32 R C C 165.71 1.81 22.81 23.74 111.14 -129.23 -87.62 121.95 52.01 47.94 0.05 51.45 0.73 0.08 0.01 0.02 0.00 46.90 0.80 33 M E E 45.69 21.78 9.89 29.90 122.44 -171.09 -109.66 136.66 14.11 85.82 0.06 13.78 0.43 0.05 0.04 0.03 0.00 78.54 7.13 34 S E E 69.77 4.15 19.62 24.43 121.79 -169.96 -115.07 143.52 30.18 69.76 0.05 24.86 5.09 0.33 0.02 0.04 0.00 68.00 1.66 35 G C E 33.88 4.62 19.83 25.12 133.40 -22.02 120.94 -176.76 58.36 41.62 0.01 23.95 33.96 0.40 0.00 0.02 0.00 41.33 0.34 36 P C C 63.30 13.49 15.10 28.44 115.73 -55.20 -70.67 145.62 66.55 33.43 0.02 58.79 6.23 0.13 0.00 0.02 0.00 34.14 0.68 37 I E E 47.11 13.87 15.77 30.58 118.56 -152.22 -112.29 125.71 23.53 76.46 0.02 22.04 1.23 0.03 0.01 0.01 0.00 67.27 9.40 38 P E E 80.41 6.06 20.68 27.54 114.68 -116.27 -68.06 143.60 37.11 62.87 0.01 36.57 0.97 0.03 0.00 0.01 0.00 58.76 3.65 39 L C C 42.03 19.48 11.43 30.06 117.44 -122.41 -83.30 140.41 92.67 7.32 0.01 90.06 3.32 0.04 0.00 0.01 0.00 6.06 0.51 40 P C C 63.87 6.91 18.07 25.97 114.38 -101.58 -66.64 150.99 95.71 4.26 0.03 90.67 5.01 0.19 0.01 0.03 0.00 3.77 0.33 41 T C C 77.04 10.08 13.22 24.06 119.20 -142.42 -98.12 141.37 54.85 45.07 0.09 47.19 6.55 0.27 0.02 0.08 0.00 44.35 1.54 42 K E E 110.60 6.29 14.85 22.71 122.55 -147.99 -110.27 140.71 14.36 85.60 0.04 12.33 1.64 0.10 0.01 0.03 0.00 85.44 0.45 43 R E E 136.59 6.93 13.63 22.40 120.20 -149.46 -107.87 132.31 3.70 96.29 0.01 3.41 0.17 0.01 0.00 0.01 0.00 96.31 0.09 44 I E E 62.52 10.89 12.41 24.64 119.58 -159.40 -108.61 133.60 1.28 98.72 0.00 1.20 0.04 0.00 0.00 0.00 0.00 98.72 0.03 45 R E E 141.98 4.60 15.79 22.11 117.68 -153.21 -106.49 128.04 0.71 99.29 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.32 0.02 46 I E E 54.47 12.35 11.52 25.05 121.05 -169.15 -116.61 132.26 1.65 98.34 0.00 1.53 0.05 0.00 0.00 0.00 0.00 98.39 0.03 47 T E E 72.23 4.93 16.98 22.99 117.67 -145.61 -94.96 138.51 5.22 94.76 0.02 4.73 0.25 0.03 0.00 0.01 0.00 94.88 0.09 48 T E E 51.92 12.39 11.52 24.57 123.61 -162.44 -115.51 140.98 12.02 87.83 0.16 10.51 1.34 0.23 0.05 0.10 0.00 87.05 0.72 49 R E E 131.03 5.40 14.05 20.94 117.45 -137.77 -93.99 136.18 21.64 78.15 0.21 17.98 3.70 0.52 0.06 0.16 0.00 75.95 1.62 50 K E E 126.32 4.99 12.90 19.57 116.32 -136.62 -89.28 137.31 49.71 50.02 0.27 40.59 7.75 0.73 0.10 0.24 0.00 45.20 5.39 51 S C C 39.27 8.23 9.17 19.24 117.23 -110.54 -81.21 146.75 92.67 7.16 0.18 86.26 5.78 0.66 0.05 0.13 0.00 5.94 1.17 52 P C T 108.77 2.30 11.17 14.84 93.39 -126.30 -66.74 -20.84 95.03 1.03 3.94 9.36 30.06 55.38 0.33 3.84 0.00 0.68 0.34 53 D C T 107.48 2.09 10.13 13.11 97.83 57.86 -88.63 -0.73 93.58 1.28 5.14 5.91 30.21 57.40 0.47 4.68 0.00 0.68 0.64 54 G C S 53.89 2.75 9.65 13.99 99.60 -102.04 79.65 5.14 90.14 1.93 7.93 15.42 47.84 26.71 0.78 7.24 0.00 0.95 1.06 55 E C T 139.47 1.77 10.53 13.33 101.44 102.39 -88.96 10.55 89.52 2.35 8.13 26.52 28.47 34.49 1.14 7.07 0.00 1.16 1.14 56 G C S 51.98 2.84 10.59 14.83 105.51 -93.32 81.20 1.64 86.42 5.33 8.25 30.40 30.49 25.92 1.12 7.13 0.01 2.83 2.09 57 S C C 73.94 2.80 11.35 15.52 117.02 112.39 -92.78 150.43 85.44 7.77 6.79 41.58 33.08 11.33 1.11 5.75 0.00 5.12 2.03 58 A C C 72.00 5.06 10.92 17.72 112.19 -109.99 -83.36 133.85 79.19 17.18 3.63 52.04 20.70 6.54 0.59 3.25 0.00 15.16 1.72 59 T C E 69.95 6.04 12.00 19.71 122.63 -155.49 -114.73 144.85 52.06 47.09 0.84 43.22 6.98 1.46 0.19 0.68 0.00 45.67 1.81 60 F E E 107.31 8.22 11.32 21.05 120.37 -144.29 -108.16 137.59 21.90 77.97 0.13 19.54 1.71 0.29 0.03 0.09 0.00 77.47 0.87 61 D E E 76.34 6.73 13.47 21.85 120.93 -164.02 -110.50 140.44 8.76 91.21 0.03 7.61 0.73 0.08 0.01 0.02 0.00 91.38 0.17 62 R E E 135.00 6.11 13.85 21.74 120.12 -143.77 -104.85 134.99 4.17 95.82 0.01 3.87 0.15 0.01 0.00 0.00 0.00 95.87 0.09 63 F E E 69.48 11.52 11.88 24.62 126.97 -171.03 -122.70 146.23 4.65 95.34 0.00 4.51 0.06 0.00 0.00 0.00 0.00 95.37 0.06 64 E E E 103.79 5.49 16.61 23.51 121.41 -146.50 -109.63 135.91 2.04 97.96 0.00 1.92 0.04 0.00 0.00 0.00 0.00 97.99 0.04 65 L E E 58.12 13.83 12.55 26.73 124.63 -167.15 -116.59 141.09 2.86 97.14 0.00 2.67 0.07 0.00 0.00 0.00 0.00 97.21 0.04 66 R E E 109.13 7.25 17.58 26.00 117.82 -146.86 -102.31 130.52 2.67 97.32 0.00 2.49 0.08 0.00 0.00 0.00 0.00 97.37 0.05 67 V E E 53.26 12.48 15.36 28.76 119.60 -160.25 -110.38 129.28 3.96 96.03 0.00 3.61 0.18 0.01 0.00 0.00 0.00 96.11 0.09 68 H E E 57.37 11.47 16.71 29.48 123.31 -171.04 -117.28 137.53 4.48 95.51 0.01 4.00 0.28 0.02 0.00 0.00 0.00 95.58 0.12 69 K E E 97.87 10.32 18.30 29.25 124.67 -162.46 -119.47 138.78 7.79 92.20 0.00 7.22 0.30 0.01 0.00 0.00 0.00 92.37 0.09 70 R E E 57.99 15.69 16.41 32.19 128.78 -164.45 -126.96 140.96 5.31 94.68 0.00 5.03 0.16 0.01 0.00 0.00 0.00 94.72 0.08 71 L E E 61.64 9.72 21.46 31.92 118.62 -149.97 -108.31 129.21 1.83 98.17 0.00 1.70 0.06 0.00 0.00 0.00 0.00 98.21 0.04 72 V E E 10.89 22.01 16.22 38.63 121.49 -166.39 -115.58 130.42 0.46 99.54 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.01 73 D E E 59.20 8.13 24.77 33.42 116.22 -158.61 -104.87 125.68 0.89 99.11 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.12 0.02 74 I E E 11.69 23.41 14.75 38.31 123.89 -171.53 -122.41 133.86 12.26 87.64 0.10 11.60 0.52 0.10 0.03 0.05 0.00 87.34 0.36 75 E E E 108.40 4.73 24.85 29.80 113.15 -149.41 -98.72 121.80 44.31 55.55 0.15 38.14 4.54 0.48 0.04 0.11 0.00 55.82 0.87 76 A C C 18.19 21.11 11.60 31.60 131.82 149.57 -127.65 157.70 83.44 16.28 0.28 74.30 8.28 0.46 0.14 0.14 0.00 15.47 1.20 77 D C C 71.06 4.79 19.53 24.46 119.59 -110.43 -80.56 160.02 97.72 1.81 0.48 96.94 1.06 0.18 0.34 0.06 0.00 1.10 0.33 78 E H H 124.78 4.72 14.94 21.29 91.85 -105.85 -59.87 -35.85 2.76 0.01 97.24 0.40 0.34 1.77 96.79 0.68 0.00 0.00 0.00 79 R H H 143.65 2.11 18.92 20.59 91.82 53.23 -64.68 -39.99 1.47 0.00 98.52 0.13 0.11 1.14 97.77 0.84 0.00 0.00 0.00 80 A H H 12.37 16.27 14.46 31.65 92.00 49.75 -65.00 -41.91 0.56 0.00 99.44 0.08 0.04 0.38 98.57 0.93 0.00 0.00 0.00 81 M H H 39.58 15.75 15.48 31.41 91.61 51.92 -62.91 -41.79 0.17 0.00 99.83 0.03 0.01 0.10 99.48 0.39 0.00 0.00 0.00 82 R H H 128.52 2.66 20.77 22.93 91.63 51.20 -64.08 -40.30 0.25 0.00 99.74 0.02 0.01 0.18 99.25 0.54 0.00 0.00 0.00 83 Q H H 70.83 7.70 18.70 27.32 91.92 50.95 -65.11 -40.72 0.52 0.00 99.47 0.03 0.02 0.41 98.66 0.88 0.00 0.00 0.00 84 I H H 17.37 21.59 14.00 35.33 92.28 51.58 -65.27 -39.47 1.41 0.00 98.59 0.07 0.06 1.20 96.92 1.76 0.00 0.00 0.00 85 M H H 86.69 10.30 16.81 27.73 91.22 56.74 -68.62 -22.97 25.91 0.05 74.04 0.58 0.71 25.42 70.66 2.55 0.03 0.02 0.03 86 R C T 164.40 1.78 19.09 20.35 94.38 57.21 -84.06 -8.47 64.21 0.16 35.63 1.68 1.93 59.08 34.47 2.66 0.01 0.07 0.10 87 I C C 41.86 17.48 9.83 26.95 114.97 104.82 -78.25 134.30 97.38 1.49 1.12 61.46 34.65 1.33 1.01 0.23 0.00 0.54 0.79 88 R C C 173.29 1.74 21.00 22.26 110.91 -131.92 -87.09 121.47 94.70 5.10 0.21 94.07 1.03 0.20 0.13 0.05 0.00 1.99 2.53 89 V C C 32.23 21.37 9.39 29.08 121.27 -165.21 -104.77 137.35 97.70 2.29 0.02 95.11 2.92 0.03 0.01 0.01 0.00 0.81 1.12 90 P C C 46.93 8.18 15.17 25.27 115.21 -105.89 -64.36 150.58 99.31 0.62 0.06 98.80 0.53 0.15 0.01 0.02 0.00 0.21 0.27 91 E C T 152.31 2.08 15.66 18.37 98.78 -102.88 -63.87 -21.33 99.06 0.39 0.54 1.03 9.53 88.61 0.05 0.40 0.00 0.26 0.12 92 D C T 104.97 3.31 16.73 20.79 94.89 45.88 -73.75 4.89 98.63 0.98 0.40 2.43 7.86 88.33 0.02 0.39 0.00 0.89 0.09 93 V C C 20.51 20.29 9.44 29.07 120.91 103.02 -102.19 134.68 63.85 36.04 0.11 55.08 7.68 0.38 0.02 0.11 0.00 35.47 1.27 94 T E E 74.12 4.33 23.16 27.56 118.81 -158.49 -110.11 130.30 22.71 77.24 0.05 21.60 0.64 0.09 0.01 0.03 0.00 77.25 0.37 95 I E E 31.89 22.63 12.16 33.86 123.08 -168.13 -119.08 131.78 10.42 89.57 0.01 10.11 0.12 0.01 0.00 0.00 0.00 89.69 0.07 96 E E E 91.76 4.82 24.36 29.33 123.15 -170.04 -120.46 134.63 4.78 95.22 0.00 4.72 0.04 0.00 0.00 0.00 0.00 95.21 0.03 97 I E E 40.56 21.22 12.44 32.71 122.15 -162.91 -118.45 130.22 3.78 96.22 0.00 3.85 0.02 0.00 0.00 0.00 0.00 96.09 0.03 98 E E E 95.96 4.58 21.71 26.82 122.04 -171.62 -122.57 133.83 3.59 96.40 0.01 3.59 0.04 0.00 0.00 0.00 0.00 96.31 0.05 99 L E E 73.21 13.34 12.12 25.76 115.79 -141.16 -93.77 128.32 9.74 90.24 0.02 9.52 0.16 0.02 0.01 0.01 0.00 90.06 0.21 100 I E E 83.37 6.64 12.68 21.15 120.29 -168.89 -112.46 137.36 37.55 62.40 0.05 37.05 0.44 0.10 0.01 0.02 0.00 61.78 0.60 101 S C C 83.20 3.07 14.31 18.79 115.15 -129.65 -93.40 134.66 99.25 0.75 0.00 99.19 0.12 0.02 0.00 0.00 0.00 0.65 0.01