# 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 105.16 7.49 14.45 22.90 114.32 -153.50 -94.96 126.08 99.88 0.11 0.01 99.81 0.08 0.04 0.00 0.00 0.00 0.05 0.01 1 A C C 74.11 5.34 12.56 19.68 111.94 -134.17 -75.80 136.60 95.46 2.62 1.92 76.94 2.83 15.88 0.46 1.17 0.00 2.11 0.60 2 G C C 49.15 4.04 15.10 20.21 104.93 17.96 85.79 -3.57 92.26 6.36 1.38 42.78 23.47 25.95 0.11 1.53 0.00 5.59 0.56 3 Q C C 73.56 11.04 13.77 25.56 119.46 135.50 -97.38 141.43 74.68 24.41 0.91 56.19 14.56 2.58 0.10 0.96 0.00 24.91 0.70 4 K E E 94.27 9.33 19.62 29.49 123.01 -147.94 -109.90 138.35 25.09 74.82 0.10 22.90 1.80 0.14 0.02 0.07 0.00 74.37 0.70 5 I E E 11.64 22.68 15.61 38.46 122.73 -160.73 -117.19 133.52 3.33 96.66 0.00 3.24 0.10 0.01 0.00 0.00 0.00 96.55 0.10 6 R E E 87.79 9.33 25.03 34.64 118.43 -159.65 -111.98 127.21 0.87 99.13 0.00 0.83 0.02 0.00 0.00 0.00 0.00 99.14 0.01 7 I E E 6.67 24.66 17.23 42.39 120.86 -166.99 -114.89 128.91 0.42 99.58 0.00 0.43 0.00 0.00 0.00 0.00 0.00 99.56 0.00 8 R E E 85.48 9.35 26.70 36.50 117.33 -162.56 -110.36 124.13 0.39 99.61 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.01 9 L E E 4.20 25.92 17.28 43.94 123.15 -170.04 -115.36 135.61 1.14 98.86 0.00 1.15 0.01 0.00 0.00 0.00 0.00 98.81 0.02 10 K E E 83.40 8.90 26.99 36.40 125.16 -167.79 -119.63 137.70 4.22 95.77 0.00 3.99 0.17 0.01 0.00 0.00 0.00 95.68 0.15 11 A E E 8.37 22.09 14.26 36.30 136.80 163.54 -145.17 158.89 29.28 70.68 0.04 28.32 0.86 0.07 0.01 0.03 0.00 69.60 1.10 12 Y C S 131.04 6.41 21.21 28.33 94.91 -134.52 -78.68 -23.14 99.08 0.89 0.02 5.12 93.75 0.46 0.00 0.01 0.00 0.61 0.06 13 D C C 65.61 7.14 19.47 27.58 113.54 54.63 -116.48 107.77 99.23 0.69 0.09 68.33 30.70 0.34 0.04 0.03 0.00 0.26 0.30 14 H H H 88.24 13.78 14.28 28.21 93.18 -164.98 -62.67 -35.47 1.94 0.00 98.06 0.28 0.28 1.17 97.70 0.56 0.00 0.00 0.00 15 E H H 136.03 1.45 22.02 22.17 91.74 54.89 -64.23 -40.22 0.97 0.00 99.03 0.09 0.08 0.71 98.60 0.52 0.00 0.00 0.00 16 A H H 25.73 10.93 18.75 30.95 92.10 48.55 -65.29 -41.32 0.43 0.00 99.57 0.07 0.03 0.25 99.13 0.51 0.00 0.00 0.00 17 I H H 4.17 25.30 14.80 40.41 91.24 50.34 -63.29 -43.59 0.17 0.00 99.83 0.03 0.01 0.08 99.81 0.07 0.00 0.00 0.00 18 D H H 65.03 9.48 23.42 32.88 91.34 50.50 -63.18 -42.11 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 19 A H H 52.59 3.15 26.11 28.54 91.34 49.54 -63.80 -42.69 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 20 S H H 7.59 19.30 21.04 40.40 91.75 49.72 -64.13 -42.07 0.17 0.00 99.83 0.01 0.00 0.11 99.85 0.02 0.00 0.00 0.00 21 A H H 6.78 22.95 19.88 42.46 91.14 51.93 -62.66 -42.33 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 22 R H H 134.98 3.94 26.01 30.37 91.28 51.34 -63.49 -41.41 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 23 K H H 83.69 8.25 25.17 33.73 91.64 49.96 -64.57 -42.25 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 24 I H H 2.24 26.44 20.25 46.84 91.38 49.07 -63.79 -43.65 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 25 V H H 26.92 17.23 21.98 38.71 91.40 49.79 -62.78 -42.93 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 26 E H H 103.05 2.51 26.33 27.47 91.51 50.05 -63.76 -42.00 0.32 0.00 99.68 0.03 0.01 0.18 99.74 0.03 0.00 0.00 0.00 27 T H H 20.80 13.61 20.62 35.01 91.90 49.56 -64.52 -42.57 0.80 0.00 99.20 0.06 0.05 0.56 99.25 0.09 0.00 0.00 0.00 28 V H H 5.69 23.95 14.77 38.83 91.60 50.28 -63.73 -42.46 1.56 0.01 98.43 0.23 0.14 1.00 98.30 0.32 0.00 0.00 0.00 29 T H H 83.69 6.06 19.09 26.24 91.83 50.26 -64.09 -39.80 3.10 0.02 96.87 0.48 0.21 2.25 95.82 1.22 0.01 0.01 0.01 30 R H H 163.66 2.14 19.35 21.49 90.91 53.71 -66.46 -28.35 11.16 0.03 88.81 0.45 0.48 10.32 87.66 1.04 0.02 0.01 0.02 31 T C T 45.76 13.27 14.03 27.89 94.38 49.10 -90.07 -0.50 67.11 0.08 32.82 0.66 1.91 63.45 32.48 1.40 0.01 0.02 0.07 32 G C T 54.71 1.83 21.32 22.33 97.08 -104.05 87.74 11.10 99.80 0.03 0.17 4.32 2.62 92.93 0.06 0.04 0.00 0.02 0.01 33 A C C 13.11 22.00 9.58 30.65 120.38 141.38 -83.62 148.09 98.40 1.58 0.02 96.67 1.75 0.09 0.00 0.01 0.00 1.40 0.09 34 S E E 71.85 3.06 24.60 27.34 113.17 -126.41 -88.12 130.49 33.54 66.41 0.05 32.21 1.03 0.09 0.01 0.03 0.00 65.98 0.65 35 V E E 36.17 22.39 11.53 32.64 118.97 -159.94 -108.73 128.41 5.24 94.73 0.02 5.26 0.16 0.01 0.01 0.01 0.00 92.25 2.30 36 V E E 81.94 5.77 20.28 26.63 114.85 -170.93 -110.90 120.35 17.29 82.69 0.02 14.02 2.89 0.15 0.00 0.02 0.00 82.33 0.58 37 G E E 32.49 5.06 20.77 26.45 131.69 -30.10 112.49 -175.83 44.78 55.21 0.01 19.62 24.23 0.34 0.00 0.01 0.00 55.57 0.22 38 P C C 62.65 14.81 15.60 29.78 115.99 -64.03 -70.56 145.22 53.80 46.17 0.02 47.87 4.13 0.13 0.00 0.02 0.00 47.21 0.63 39 V E E 35.29 14.83 16.82 32.47 119.20 -156.71 -115.08 126.41 24.10 75.88 0.02 22.21 1.31 0.04 0.01 0.01 0.00 68.55 7.88 40 P E E 77.51 6.58 22.46 29.59 114.80 -115.05 -68.28 144.03 40.77 59.21 0.01 39.33 1.38 0.04 0.00 0.01 0.00 56.32 2.91 41 L C C 36.27 20.91 13.01 33.07 117.12 -117.27 -82.77 141.12 93.43 6.56 0.01 90.60 3.30 0.05 0.00 0.01 0.00 5.57 0.47 42 P C C 43.05 11.52 16.99 29.55 114.11 -103.37 -65.44 148.06 93.02 6.89 0.09 90.67 2.41 0.24 0.02 0.07 0.00 5.93 0.67 43 T C S 87.35 6.74 16.44 24.41 98.82 -154.10 -88.79 -17.27 79.62 20.21 0.16 31.48 47.63 1.00 0.01 0.17 0.00 19.07 0.64 44 E E E 98.37 5.41 17.83 24.40 126.49 50.71 -118.14 143.31 14.79 84.99 0.21 11.58 3.25 0.42 0.03 0.16 0.00 84.18 0.38 45 K E E 95.34 13.17 13.58 26.88 126.64 -167.40 -128.18 139.76 3.74 96.20 0.06 3.33 0.28 0.05 0.01 0.03 0.00 96.20 0.10 46 N E E 62.27 8.79 17.13 27.20 124.41 -166.99 -121.30 139.22 1.17 98.82 0.01 1.03 0.06 0.01 0.00 0.00 0.00 98.88 0.03 47 V E E 60.38 10.88 16.19 28.30 119.91 -154.95 -111.12 130.50 0.98 99.00 0.01 0.88 0.04 0.00 0.00 0.00 0.00 99.04 0.02 48 Y E E 62.52 11.89 15.94 29.19 123.99 -169.55 -118.68 138.78 1.29 98.69 0.02 1.18 0.06 0.01 0.00 0.01 0.00 98.70 0.04 49 C E E 45.31 10.19 17.11 28.77 120.53 -151.39 -110.41 135.05 2.75 97.22 0.03 2.59 0.12 0.01 0.01 0.01 0.00 97.17 0.10 50 V E E 40.78 11.88 15.73 29.09 118.79 -159.71 -110.44 128.53 8.18 91.74 0.08 7.35 0.63 0.08 0.02 0.05 0.00 91.41 0.46 51 I E E 69.45 8.94 14.98 25.51 117.12 -146.40 -96.43 130.75 28.55 71.19 0.26 22.68 5.34 0.73 0.06 0.19 0.00 70.18 0.81 52 R C C 121.46 6.72 13.97 22.11 113.49 -155.53 -97.84 128.12 60.16 39.34 0.51 42.32 16.15 2.12 0.12 0.42 0.00 37.06 1.81 53 S C C 40.98 7.42 10.78 20.20 117.69 -120.75 -98.52 136.23 85.45 13.58 0.98 66.51 15.32 3.25 0.27 0.82 0.00 11.74 2.10 54 P C T 92.68 3.94 11.09 16.71 95.37 -130.06 -66.93 -18.52 90.63 1.53 7.84 14.52 31.64 45.15 1.42 5.79 0.00 0.92 0.56 55 H C T 134.08 2.45 9.72 13.41 104.56 67.08 -86.67 0.12 86.63 2.37 11.00 14.11 29.68 43.68 2.13 7.95 0.01 1.24 1.20 56 K C S 151.25 2.02 10.71 13.66 100.39 -26.47 -78.02 -17.26 84.05 4.34 11.61 19.50 33.54 32.09 2.00 8.68 0.02 2.34 1.83 57 Y C C 122.60 5.26 8.75 15.73 108.93 51.44 -110.96 87.82 84.23 7.34 8.43 44.37 18.90 21.43 1.73 6.80 0.01 4.45 2.30 58 K C T 141.64 3.35 10.58 15.77 97.99 173.40 -72.74 -23.94 82.28 7.24 10.48 20.34 16.43 46.07 1.54 8.88 0.02 5.02 1.70 59 D C T 117.12 1.54 13.38 15.17 98.88 51.07 -88.83 8.04 83.48 6.82 9.70 20.22 17.94 45.67 1.22 8.49 0.01 5.34 1.12 60 S C C 41.16 9.32 9.48 20.35 117.10 111.23 -88.04 140.93 77.62 15.70 6.69 54.05 16.22 7.33 1.12 6.00 0.00 13.47 1.82 61 R C C 123.99 6.87 13.40 21.83 121.36 -153.32 -110.70 140.11 55.30 42.22 2.48 42.40 9.28 3.44 0.69 1.91 0.00 39.51 2.76 62 E E E 92.91 9.32 13.82 24.17 118.44 -152.33 -103.38 136.84 35.18 63.75 1.07 27.76 5.51 1.58 0.21 0.88 0.00 63.20 0.85 63 H E E 98.51 7.38 15.53 24.18 122.14 -153.91 -115.90 137.42 17.84 81.74 0.42 14.56 2.46 0.80 0.09 0.32 0.00 81.43 0.33 64 F E E 70.00 13.45 12.60 26.68 128.31 -170.73 -124.16 147.07 5.95 94.02 0.03 5.40 0.27 0.03 0.01 0.01 0.00 94.17 0.11 65 E E E 88.68 7.00 17.86 26.15 125.20 -162.65 -124.10 139.52 0.89 99.09 0.01 0.78 0.04 0.01 0.00 0.00 0.00 99.14 0.02 66 M E E 69.74 13.67 14.57 28.56 123.68 -157.96 -116.06 136.14 0.72 99.28 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.32 0.01 67 R E E 92.07 9.15 18.07 28.30 123.51 -169.33 -119.32 134.92 1.17 98.82 0.01 1.06 0.04 0.01 0.00 0.00 0.00 98.87 0.02 68 T E E 51.74 12.32 16.82 29.83 122.08 -161.78 -114.38 134.70 3.23 96.76 0.01 2.78 0.25 0.02 0.00 0.01 0.00 96.89 0.06 69 H E E 45.43 13.33 17.22 31.57 126.53 -172.77 -124.65 141.08 5.14 94.84 0.02 4.49 0.47 0.05 0.00 0.01 0.00 94.85 0.13 70 K E E 94.32 10.34 20.27 30.92 122.60 -148.83 -109.08 138.27 8.09 91.90 0.01 7.47 0.34 0.02 0.00 0.00 0.00 92.05 0.11 71 R E E 39.53 18.11 17.41 35.33 127.12 -167.53 -123.76 140.21 4.64 95.35 0.00 4.33 0.19 0.01 0.00 0.00 0.00 95.39 0.07 72 L E E 44.39 10.99 23.31 35.17 118.68 -151.07 -109.43 129.42 0.93 99.07 0.00 0.83 0.03 0.00 0.00 0.00 0.00 99.12 0.02 73 I E E 8.10 23.37 17.72 41.65 120.06 -165.32 -114.22 128.81 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 74 D E E 49.68 9.28 25.95 35.84 115.51 -159.06 -105.49 123.03 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.00 75 I E E 10.24 22.84 16.03 39.37 115.44 -162.45 -107.41 122.45 4.15 95.83 0.02 4.06 0.09 0.01 0.00 0.01 0.00 95.61 0.21 76 L E E 63.80 8.57 20.67 29.97 120.84 -163.62 -101.41 142.93 37.25 62.70 0.04 14.20 22.02 1.00 0.00 0.04 0.00 62.29 0.44 77 D C S 104.40 3.18 22.23 25.56 93.84 3.19 58.01 51.72 91.45 8.53 0.01 7.92 81.98 1.09 0.00 0.01 0.00 8.87 0.13 78 P C C 18.14 22.59 9.53 31.12 117.97 -168.39 -71.89 146.45 96.34 3.63 0.03 91.55 5.13 0.12 0.01 0.02 0.00 2.62 0.56 79 T C C 59.28 4.87 20.42 25.53 120.55 -124.39 -80.82 159.81 99.78 0.18 0.05 99.13 0.68 0.03 0.03 0.00 0.00 0.05 0.08 80 P H H 90.76 5.55 14.99 22.12 91.16 -107.24 -58.05 -36.45 3.17 0.00 96.82 0.23 0.33 2.44 96.32 0.68 0.00 0.00 0.00 81 K H H 136.59 1.77 19.09 20.21 91.57 53.59 -64.71 -39.65 1.78 0.00 98.21 0.11 0.12 1.44 97.61 0.71 0.00 0.00 0.00 82 T H H 19.64 16.43 15.44 32.20 92.51 48.16 -66.11 -41.81 0.59 0.00 99.41 0.08 0.04 0.38 98.90 0.59 0.00 0.00 0.00 83 V H H 19.62 18.30 15.48 33.95 91.40 51.00 -62.71 -43.15 0.20 0.00 99.80 0.03 0.01 0.11 99.59 0.26 0.00 0.00 0.00 84 D H H 81.20 2.92 21.90 24.09 91.38 50.51 -63.69 -40.04 0.44 0.00 99.56 0.04 0.02 0.32 99.06 0.56 0.00 0.00 0.00 85 A H H 34.66 7.92 18.57 27.92 91.73 51.65 -64.89 -40.22 1.07 0.00 98.93 0.05 0.04 0.89 97.74 1.27 0.00 0.00 0.00 86 L H H 15.46 22.16 14.15 35.96 92.25 52.99 -66.40 -35.65 3.08 0.01 96.91 0.17 0.15 2.65 94.10 2.92 0.00 0.01 0.00 87 M H H 85.91 11.13 16.93 28.34 91.51 59.24 -69.82 -20.69 35.72 0.14 64.14 1.30 1.29 32.86 60.74 3.58 0.06 0.07 0.09 88 R C T 170.44 1.63 19.38 20.24 95.93 58.34 -86.55 -5.29 68.78 0.36 30.87 3.60 2.63 60.96 28.79 3.64 0.02 0.19 0.17 89 I C C 48.29 16.43 9.72 25.80 117.13 102.88 -84.52 137.84 93.49 3.48 3.03 60.55 29.10 3.70 2.72 0.69 0.00 1.61 1.63 90 D C C 118.09 1.54 19.89 20.84 109.66 -133.33 -90.46 113.20 92.82 6.76 0.42 90.04 2.14 1.02 0.24 0.15 0.00 4.12 2.29 91 L C C 40.53 20.31 9.15 27.83 120.38 -167.09 -102.06 138.34 95.28 4.68 0.05 90.66 4.96 0.09 0.02 0.02 0.00 2.47 1.77 92 P C C 57.54 6.60 16.04 24.15 115.56 -106.76 -66.19 153.06 98.29 1.50 0.21 97.27 0.94 0.40 0.05 0.09 0.00 0.78 0.47 93 A C T 81.03 3.76 14.87 19.84 108.92 -97.14 -66.13 142.70 98.50 0.69 0.81 1.20 7.51 89.92 0.07 0.65 0.00 0.46 0.19 94 S C T 83.21 3.07 16.87 20.56 95.19 27.91 71.37 7.76 98.40 1.04 0.56 2.41 6.38 89.61 0.03 0.57 0.00 0.90 0.10 95 V C C 30.79 18.08 9.10 26.71 119.97 117.03 -100.63 135.02 68.25 31.54 0.21 60.75 5.86 0.48 0.03 0.21 0.00 31.71 0.96 96 D E E 95.69 3.12 21.38 24.68 113.76 -151.32 -103.80 122.59 19.14 80.76 0.10 18.32 0.73 0.15 0.02 0.06 0.00 80.23 0.49 97 V E E 37.43 20.57 10.62 30.16 124.46 -172.43 -121.87 135.60 9.69 90.29 0.02 9.61 0.18 0.02 0.00 0.01 0.00 89.96 0.22 98 N E E 91.28 3.57 20.84 24.86 123.42 -169.86 -121.02 137.27 6.86 93.13 0.02 6.83 0.13 0.02 0.00 0.01 0.00 92.78 0.23 99 I E E 64.10 16.56 10.43 26.25 119.44 -154.35 -108.56 128.64 18.90 81.08 0.02 19.49 0.14 0.02 0.01 0.01 0.00 79.56 0.76 100 Q C C 111.46 3.92 17.87 22.73 118.89 -169.97 -112.34 135.09 96.15 3.84 0.00 96.05 0.07 0.01 0.00 0.00 0.00 3.85 0.03