# 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 105.33 6.94 12.67 20.80 116.61 -166.43 -99.95 133.71 99.81 0.17 0.02 99.74 0.11 0.04 0.01 0.00 0.00 0.09 0.02 1 T C C 82.25 5.41 10.32 17.47 116.76 -148.30 -95.74 138.80 88.10 6.33 5.57 83.65 1.59 3.23 3.84 1.31 0.00 3.80 2.57 2 T C C 86.24 4.92 10.05 16.73 113.59 -141.22 -95.66 129.37 78.50 10.78 10.71 56.10 16.21 5.72 8.00 3.30 0.02 6.40 4.26 3 K C C 128.92 4.40 11.38 17.38 108.14 -131.90 -81.31 130.00 73.81 10.87 15.32 54.53 12.56 6.00 10.75 5.20 0.02 7.23 3.71 4 R C C 136.98 5.95 11.85 19.18 102.84 52.92 -79.85 -5.75 64.86 10.54 24.60 43.20 11.57 9.94 13.81 10.94 0.05 6.75 3.74 5 R C C 131.75 6.08 13.70 21.01 105.70 55.53 -85.39 48.18 63.62 9.51 26.87 31.89 14.86 18.07 12.65 13.09 0.15 5.86 3.42 6 N C C 69.68 10.07 12.56 23.52 107.26 51.10 -96.77 86.01 69.71 7.65 22.64 34.71 15.66 20.69 9.34 11.98 0.10 4.12 3.41 7 H C C 105.09 6.84 15.28 23.18 103.68 136.39 -94.01 29.56 80.55 5.89 13.56 37.54 19.16 24.78 5.23 7.43 0.03 2.94 2.90 8 G C C 35.68 8.99 13.97 23.68 102.77 -100.20 79.41 2.45 84.45 4.26 11.29 31.20 23.90 30.26 2.27 8.35 0.01 2.21 1.80 9 R C C 133.70 6.07 15.36 22.34 103.53 94.71 -89.13 15.79 79.13 10.32 10.55 40.95 21.44 17.49 2.55 7.60 0.03 5.37 4.58 10 S C C 57.16 7.86 12.99 22.02 106.90 74.45 -87.70 67.82 78.83 13.55 7.63 51.10 18.48 8.95 2.49 5.11 0.03 6.73 7.10 11 K C C 102.89 6.75 12.15 20.43 118.54 83.67 -99.82 134.26 88.81 8.95 2.24 65.52 20.53 2.40 1.11 1.13 0.00 4.41 4.89 12 P C C 70.42 5.36 11.62 18.77 114.17 -106.84 -67.05 152.29 88.36 3.76 7.87 64.95 10.75 12.02 1.95 6.37 0.00 2.26 1.70 13 A C C 84.40 3.07 11.05 15.48 97.13 -103.14 -66.35 -25.33 83.34 3.49 13.16 33.36 18.41 31.66 2.06 11.07 0.01 1.76 1.66 14 H C T 151.54 1.63 10.99 13.32 102.79 44.86 -91.13 10.75 82.94 3.77 13.29 24.45 22.89 35.77 1.91 11.28 0.01 1.89 1.80 15 S C C 63.49 5.73 9.00 16.37 112.96 89.57 -102.87 131.84 86.07 4.03 9.90 33.54 27.25 25.01 1.27 8.95 0.00 1.93 2.05 16 R C C 164.66 2.96 11.28 15.79 104.66 -140.54 -84.05 40.19 84.91 6.33 8.76 34.83 22.54 27.76 1.37 7.33 0.01 2.92 3.23 17 G C C 43.85 5.76 12.54 19.53 108.63 -26.77 76.28 -46.26 86.99 6.07 6.94 30.61 26.52 30.11 0.86 6.32 0.00 3.26 2.31 18 R C C 129.87 6.42 13.80 21.42 111.46 35.45 -90.64 119.35 80.99 14.54 4.47 41.55 26.91 12.54 0.91 3.81 0.01 7.15 7.13 19 V C C 60.91 12.17 12.91 25.67 115.86 -145.92 -97.70 132.58 79.29 19.65 1.06 59.80 16.72 2.15 0.38 0.74 0.00 9.63 10.58 20 K C C 112.78 6.16 18.85 26.03 119.63 -141.26 -98.68 138.42 90.08 9.87 0.06 82.41 7.71 0.21 0.01 0.04 0.00 8.54 1.06 21 P C C 53.31 13.22 17.43 30.75 116.18 -103.34 -67.96 147.99 83.85 16.11 0.04 80.78 3.01 0.13 0.00 0.03 0.00 15.07 0.98 22 I E E 23.09 18.31 17.24 35.86 121.18 -149.16 -111.72 135.14 15.07 84.91 0.01 13.88 1.00 0.03 0.01 0.01 0.00 81.88 3.20 23 H E E 87.40 8.84 23.20 32.45 116.59 -135.74 -96.28 130.74 3.78 96.20 0.01 3.91 0.11 0.00 0.01 0.00 0.00 77.82 18.14 24 C C C 8.34 21.49 13.21 35.55 109.12 -120.04 -73.63 123.97 69.73 30.21 0.05 71.62 0.51 0.05 0.01 0.03 0.00 25.57 2.21 25 F C T 103.11 8.39 20.05 29.55 93.65 -154.98 -72.16 -24.48 99.50 0.26 0.24 0.40 4.74 94.38 0.01 0.24 0.00 0.19 0.04 26 N C T 84.32 7.82 19.04 27.29 100.68 42.97 -87.08 -39.71 99.64 0.10 0.26 0.08 2.45 97.17 0.00 0.22 0.00 0.05 0.02 27 C C T 53.88 8.04 17.59 26.74 103.46 16.65 -111.32 -13.94 99.77 0.06 0.17 0.50 3.83 95.44 0.00 0.17 0.00 0.04 0.01 28 G C C 28.04 11.69 16.15 28.63 95.30 -125.69 77.07 8.58 99.23 0.64 0.13 85.92 7.22 6.08 0.03 0.11 0.00 0.36 0.28 29 R C C 97.70 7.60 21.13 29.74 120.27 139.06 -79.21 148.16 87.02 12.96 0.02 84.35 3.53 0.08 0.00 0.01 0.00 10.35 1.68 30 L E E 58.85 15.17 19.33 34.20 115.24 -115.09 -82.53 133.88 1.92 98.07 0.00 1.72 0.18 0.01 0.01 0.00 0.00 74.08 24.00 31 T E E 12.85 18.38 16.68 35.59 134.21 -175.56 -134.59 153.03 27.77 72.22 0.00 26.67 0.86 0.01 0.00 0.00 0.00 71.69 0.77 32 P C C 48.57 6.51 21.68 29.20 114.15 -95.10 -64.13 144.04 54.84 45.13 0.03 56.31 0.71 0.02 0.01 0.02 0.00 41.21 1.72 33 K H G 84.47 15.72 13.06 28.44 91.27 -118.76 -57.67 -36.27 13.71 0.20 86.09 0.75 1.37 11.18 3.05 83.48 0.00 0.15 0.02 34 D H G 116.11 1.70 20.08 21.44 90.22 61.42 -68.53 -19.92 14.47 0.17 85.37 0.38 1.01 13.30 3.99 81.18 0.00 0.11 0.02 35 K H G 101.02 8.25 18.17 27.17 95.93 52.47 -96.25 -3.82 13.50 0.42 86.08 1.20 1.88 10.37 5.78 80.40 0.00 0.31 0.05 36 A C C 12.98 22.33 11.96 33.42 113.00 95.84 -82.23 126.63 60.37 30.95 8.68 45.79 11.82 2.69 4.46 4.45 0.04 26.60 4.14 37 V E E 56.79 11.12 19.41 31.01 119.40 -154.84 -108.80 130.81 17.68 81.70 0.63 14.84 2.69 0.52 0.50 0.30 0.00 77.15 4.00 38 G E E 32.92 11.29 17.26 28.67 119.51 -145.38 -93.80 147.60 15.29 84.20 0.52 11.73 3.13 0.59 0.22 0.25 0.00 83.68 0.40 39 R E E 125.21 7.44 17.03 25.75 125.77 -147.75 -125.13 138.96 12.81 86.34 0.86 10.60 1.66 0.40 0.47 0.31 0.00 86.19 0.35 40 F E E 88.28 11.99 13.15 25.82 121.76 -156.55 -111.83 135.28 8.72 90.84 0.44 8.07 0.45 0.12 0.31 0.13 0.00 90.50 0.43 41 V E E 73.45 6.82 15.98 24.35 119.17 -157.96 -112.20 128.82 7.89 91.77 0.34 7.31 0.38 0.09 0.29 0.08 0.00 91.34 0.51 42 V E E 70.00 9.53 12.34 23.34 117.35 -154.25 -101.02 128.54 16.95 82.03 1.02 15.60 0.93 0.29 0.67 0.32 0.00 81.49 0.70 43 R E E 126.77 5.39 13.00 20.15 118.14 -158.61 -100.67 137.26 43.48 50.30 6.21 33.85 6.72 2.24 4.42 1.81 0.01 49.65 1.30 44 R C C 145.26 4.46 12.03 18.07 109.13 -125.63 -85.98 119.38 63.46 24.27 12.27 50.10 8.34 3.51 10.13 2.70 0.02 23.33 1.88 45 M H H 113.25 4.30 11.84 17.48 101.05 -154.32 -78.16 -26.23 37.96 6.91 55.13 24.22 7.37 7.60 47.81 6.16 0.09 5.60 1.14 46 L H H 102.06 3.83 12.65 17.50 100.70 58.32 -77.85 -34.34 30.72 4.07 65.21 18.08 6.54 8.03 57.53 5.91 0.09 3.01 0.83 47 D H H 78.62 5.18 13.37 19.82 101.28 54.70 -74.95 -30.68 25.64 1.46 72.90 17.80 4.03 5.40 66.35 5.14 0.01 0.94 0.33 48 A H H 58.71 4.31 14.05 19.62 94.58 57.16 -65.88 -38.40 9.16 0.25 90.59 5.29 1.59 3.02 87.73 2.15 0.01 0.14 0.06 49 A H H 56.67 2.85 16.16 19.36 92.83 52.22 -65.67 -40.50 5.37 0.17 94.46 2.58 0.85 2.31 92.57 1.52 0.01 0.10 0.04 50 S H H 42.41 6.12 14.91 22.67 92.49 51.49 -65.36 -40.34 4.39 0.18 95.43 2.22 0.62 1.84 93.95 1.21 0.01 0.12 0.04 51 A H H 45.95 6.90 14.99 23.36 92.28 51.30 -64.68 -41.08 1.91 0.08 98.00 0.83 0.28 0.85 97.41 0.57 0.00 0.05 0.01 52 R H H 134.38 2.45 17.81 20.23 92.14 50.74 -65.07 -40.52 1.47 0.06 98.46 0.55 0.17 0.71 98.09 0.42 0.00 0.04 0.01 53 D H H 75.12 3.57 17.24 21.27 92.39 50.20 -65.39 -40.41 1.93 0.08 97.99 0.69 0.22 1.01 97.54 0.47 0.01 0.05 0.01 54 V H H 56.22 8.77 14.43 24.49 92.58 50.11 -65.95 -40.18 1.90 0.04 98.06 0.51 0.19 1.11 97.54 0.60 0.00 0.02 0.01 55 A H H 54.22 6.96 15.06 23.24 92.71 52.58 -66.06 -37.47 4.27 0.04 95.69 0.70 0.36 3.05 94.87 0.98 0.01 0.02 0.01 56 E H H 135.14 1.79 17.07 18.50 93.82 51.04 -72.77 -26.00 15.29 0.09 84.62 1.09 1.10 12.97 83.55 1.16 0.05 0.03 0.05 57 A H H 58.31 6.19 13.57 20.89 97.50 54.06 -87.31 -9.02 40.42 1.06 58.52 7.04 7.92 26.47 55.62 1.72 0.21 0.36 0.66 58 S C C 38.43 9.77 10.00 21.23 115.44 110.34 -94.77 132.10 82.17 7.11 10.72 56.07 18.94 6.29 8.10 2.92 0.01 2.56 5.12 59 P C T 92.13 4.09 12.48 18.18 96.08 -144.09 -68.00 -22.30 71.04 3.71 25.25 24.85 15.87 31.41 11.88 12.17 0.07 1.94 1.80 60 V C T 100.72 3.27 12.39 16.77 97.07 54.76 -77.34 -28.83 70.31 4.23 25.46 13.24 16.27 41.00 11.63 13.07 0.18 2.34 2.27 61 Y C T 140.43 4.44 11.63 17.36 102.07 35.45 -96.50 -0.83 73.56 4.06 22.38 17.16 18.39 38.77 9.57 11.56 0.20 2.04 2.31 62 G C C 43.49 5.14 11.65 18.18 106.98 -93.10 74.03 8.29 86.27 2.74 10.99 37.53 19.83 29.46 3.11 7.35 0.01 1.34 1.38 63 A C T 73.66 4.29 11.17 17.12 105.00 113.76 -81.79 18.06 87.31 3.34 9.35 31.43 23.64 32.73 1.58 7.55 0.00 1.77 1.29 64 N C C 125.24 1.81 14.08 16.43 103.59 51.04 -89.60 25.36 87.79 5.92 6.29 39.34 21.71 27.12 0.88 5.72 0.00 3.62 1.60 65 F C C 75.71 11.99 8.97 21.49 118.04 125.38 -100.85 132.08 87.39 11.53 1.09 60.59 25.08 2.09 0.32 0.88 0.00 7.42 3.62 66 P C C 89.06 4.07 16.68 21.67 113.55 -141.39 -83.65 136.33 81.65 17.63 0.72 69.57 10.27 1.37 0.25 0.53 0.00 10.54 7.46 67 M C C 76.03 13.50 11.63 25.22 118.52 -128.69 -96.46 134.88 83.82 15.47 0.71 67.10 15.54 1.16 0.25 0.53 0.00 9.70 5.71 68 P C C 56.23 9.47 14.01 24.88 113.30 -108.37 -67.29 149.08 89.26 7.78 2.95 70.89 12.39 5.68 0.46 2.82 0.00 6.35 1.40 69 K C S 133.48 5.38 15.68 22.34 102.73 -123.95 -77.68 -2.03 85.05 11.09 3.85 25.05 49.22 11.26 0.51 3.08 0.00 9.59 1.30 70 L C E 72.31 9.30 15.40 25.67 120.79 59.84 -110.02 136.21 49.55 46.44 4.01 32.17 13.19 5.95 0.59 3.39 0.00 43.35 1.34 71 Y E E 83.92 13.31 15.21 28.81 129.23 -174.20 -127.90 145.93 19.09 80.34 0.57 16.66 2.22 0.50 0.17 0.34 0.00 79.40 0.71 72 M E E 56.02 12.98 17.84 31.52 124.84 -159.15 -120.42 138.35 4.36 95.52 0.12 3.79 0.45 0.11 0.05 0.06 0.00 95.34 0.22 73 K E E 83.20 12.36 19.79 32.21 120.03 -148.68 -106.75 131.55 2.42 97.49 0.08 2.16 0.14 0.04 0.04 0.03 0.00 97.50 0.09 74 Q E E 34.65 17.36 18.48 35.70 122.76 -166.17 -115.12 135.37 5.22 94.60 0.19 4.69 0.30 0.08 0.11 0.06 0.00 94.62 0.15 75 R E E 76.07 13.71 22.53 35.87 120.81 -158.01 -110.55 132.23 9.53 90.00 0.47 8.29 0.90 0.25 0.29 0.18 0.00 89.64 0.46 76 F E E 25.38 19.69 20.40 39.44 125.49 -162.72 -117.32 139.17 25.48 73.47 1.05 23.20 1.58 0.38 0.76 0.35 0.00 72.38 1.36 77 C C C 20.29 16.63 23.35 39.61 112.13 -129.16 -87.12 127.58 60.57 34.69 4.74 57.49 1.92 0.84 3.88 0.96 0.00 32.79 2.13 78 I H H 29.79 19.84 21.39 40.44 94.95 -141.97 -67.18 -33.46 21.00 1.72 77.27 8.07 4.18 10.41 69.18 6.17 0.14 1.50 0.35 79 A H H 35.92 9.94 23.17 33.83 91.66 58.78 -63.33 -39.75 12.22 1.21 86.57 4.71 2.12 6.32 77.76 7.65 0.11 1.09 0.23 80 C H H 25.94 11.80 20.98 33.81 92.01 52.38 -65.85 -39.46 6.44 0.88 92.68 3.01 1.19 2.79 83.08 8.95 0.05 0.81 0.13 81 A H H 9.49 17.60 16.85 35.20 92.08 52.95 -64.54 -40.85 5.25 1.84 92.91 2.64 0.94 2.42 86.36 5.58 0.11 1.75 0.21 82 I H H 62.24 10.87 17.80 29.12 92.70 50.09 -65.42 -41.71 5.67 3.01 91.32 2.11 0.92 3.31 86.33 4.17 0.19 2.62 0.35 83 H H H 114.40 5.39 17.89 23.96 92.26 50.33 -68.05 -33.06 11.65 1.49 86.86 1.87 1.34 8.88 82.37 3.64 0.42 1.12 0.37 84 S C T 49.78 7.49 14.32 23.36 94.30 47.98 -89.15 -1.33 71.50 0.27 28.23 2.34 4.49 62.51 28.03 2.32 0.03 0.11 0.18 85 R C T 164.47 4.10 16.01 21.66 92.88 -124.29 61.88 30.69 91.84 0.41 7.75 3.92 7.47 79.75 7.13 1.26 0.01 0.20 0.26 86 T C S 56.51 9.22 16.06 26.42 98.89 127.22 -89.24 -15.53 80.58 7.35 12.07 23.60 37.47 19.91 7.81 4.17 0.15 3.58 3.30 87 V C S 39.15 16.96 12.47 28.89 124.78 53.47 -114.72 145.06 79.54 9.24 11.22 23.12 41.31 16.04 5.91 4.97 0.12 5.49 3.06 88 R C C 133.11 5.74 19.09 25.74 116.92 -137.94 -105.07 128.79 80.16 11.38 8.46 48.59 22.09 9.80 4.50 4.17 0.04 6.73 4.08 89 A C C 58.33 11.32 14.24 25.98 113.74 -130.73 -84.85 132.01 90.41 6.18 3.42 73.23 14.03 3.05 2.11 1.42 0.00 3.94 2.23 90 R C C 91.05 9.18 11.89 22.48 124.71 -134.41 -102.54 151.54 96.55 2.42 1.03 80.41 15.37 0.86 0.72 0.31 0.00 1.31 1.02 91 P C C 72.62 3.27 14.93 19.08 114.57 -100.27 -64.51 149.40 95.91 1.66 2.43 92.29 2.71 1.12 1.75 0.49 0.00 0.72 0.92 92 V H H 92.65 6.42 10.49 18.58 92.08 -113.86 -59.25 -36.67 29.73 0.56 69.71 8.41 6.17 15.39 50.07 19.31 0.09 0.25 0.32 93 G H H 51.10 1.27 13.92 14.70 92.07 55.57 -64.39 -36.58 27.82 0.35 71.83 4.62 4.45 17.33 51.62 21.52 0.11 0.18 0.18 94 N H H 81.74 4.06 12.55 17.99 93.48 50.49 -73.62 -27.81 23.92 0.61 75.46 7.96 4.37 11.02 53.48 22.54 0.06 0.33 0.24 95 R H H 87.36 10.74 9.65 20.99 93.73 65.94 -67.25 -33.83 30.19 1.26 68.55 15.45 6.01 10.12 54.86 12.34 0.05 0.64 0.53 96 K H H 132.17 2.65 13.97 17.48 93.82 60.27 -68.61 -29.77 43.40 2.38 54.22 20.06 9.12 16.11 42.48 9.89 0.10 1.27 0.97 97 I C H 104.34 2.99 13.37 17.10 96.89 55.19 -78.05 -19.62 54.56 2.97 42.47 29.21 11.68 14.97 34.23 7.05 0.07 1.46 1.33 98 R C C 116.07 7.87 10.59 19.54 99.06 77.20 -76.81 -16.54 68.49 4.54 26.97 46.46 12.15 9.51 23.15 4.23 0.03 2.19 2.28 99 Y C C 140.71 4.83 11.42 17.66 99.68 66.31 -84.54 -12.45 78.37 4.28 17.35 53.87 16.68 7.40 14.28 3.55 0.01 2.19 2.03 100 T C C 92.31 3.49 11.05 16.05 103.07 63.45 -83.39 12.51 85.04 3.35 11.61 65.96 11.30 7.49 8.40 3.34 0.00 1.89 1.63 101 R C C 141.83 4.49 9.60 15.95 112.36 86.92 -86.40 128.69 92.19 2.21 5.59 71.56 14.01 6.55 3.41 2.10 0.00 1.15 1.22 102 K C C 151.79 2.28 11.25 15.20 112.88 -143.05 -88.48 127.15 96.92 1.69 1.40 78.78 15.55 2.48 0.73 0.62 0.00 0.76 1.09 103 V C C 84.56 6.85 8.62 17.17 116.70 -137.38 -92.73 135.22 98.51 0.99 0.50 82.71 14.57 1.29 0.20 0.26 0.00 0.48 0.48 104 P C C 98.19 2.96 11.79 16.29 110.35 -112.14 -71.76 134.78 97.89 1.07 1.04 84.78 9.00 4.11 0.25 0.74 0.00 0.56 0.55 105 F C C 128.72 6.17 8.81 16.53 113.52 -148.23 -96.06 129.97 95.28 3.36 1.35 73.81 17.55 3.44 0.44 0.87 0.00 1.35 2.54 106 R C C 148.54 3.35 9.94 15.17 117.02 -142.87 -101.06 130.61 97.84 1.80 0.36 76.79 20.21 0.83 0.14 0.19 0.00 0.79 1.05 107 P C C 92.31 3.74 9.40 15.05 109.89 -111.79 -65.94 145.62 92.12 1.80 6.08 72.26 7.55 11.43 1.05 5.79 0.00 0.98 0.95 108 A C T 85.91 2.55 8.45 12.78 106.16 -110.26 -76.19 109.68 89.12 1.83 9.05 29.71 18.19 40.91 1.09 8.35 0.00 0.91 0.84 109 G C T 57.34 1.94 8.58 11.96 107.28 18.42 71.60 11.82 87.05 2.93 10.02 33.20 18.76 34.95 1.17 9.24 0.00 1.59 1.08 110 K C C 146.24 2.61 7.54 12.07 111.67 118.23 -86.49 131.22 90.84 3.57 5.59 83.38 2.85 5.12 1.29 3.76 0.00 2.06 1.54 111 K C C 155.06 2.16 10.06 13.96 112.42 -145.12 -91.93 128.39 99.66 0.30 0.03 99.55 0.16 0.07 0.01 0.01 0.00 0.16 0.04