# 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 117.46 5.52 11.10 18.26 115.41 -158.21 -98.55 127.15 99.88 0.10 0.02 99.78 0.10 0.04 0.01 0.00 0.00 0.05 0.01 1 S C C 72.97 4.29 9.52 15.71 115.46 -157.80 -96.75 140.93 89.43 3.73 6.84 84.25 1.27 5.47 2.66 2.61 0.00 2.50 1.25 2 E C C 144.79 2.31 10.21 13.98 111.37 -148.00 -92.13 120.81 81.90 6.10 11.99 53.89 15.87 12.51 4.28 7.53 0.00 3.97 1.94 3 L C C 94.97 7.41 8.63 17.39 114.77 -155.93 -94.54 127.85 79.58 6.37 14.05 56.97 13.71 9.04 4.99 9.06 0.01 4.33 1.90 4 K C C 137.16 3.54 12.97 18.15 114.54 -157.98 -99.78 127.53 80.50 7.14 12.36 60.42 12.73 7.32 5.15 7.19 0.01 4.61 2.58 5 I C C 76.87 11.39 9.53 21.38 116.22 -157.01 -96.20 128.59 86.22 5.49 8.29 66.41 12.79 6.95 3.93 4.27 0.00 3.25 2.40 6 R C C 157.83 3.66 14.91 19.82 101.64 -167.11 -87.53 -18.97 93.09 1.99 4.92 60.12 26.51 6.60 2.38 2.34 0.00 0.93 1.14 7 D C C 66.93 6.06 16.15 23.41 117.55 27.65 -119.36 118.71 98.58 0.88 0.54 72.42 25.45 0.77 0.25 0.23 0.00 0.33 0.56 8 P H G 51.22 15.93 12.66 28.72 92.37 -146.10 -62.42 -25.55 26.80 0.36 72.84 3.75 3.04 18.43 3.01 71.45 0.00 0.24 0.08 9 R H G 124.57 8.83 18.37 27.75 92.15 66.12 -73.23 -14.12 25.72 0.62 73.66 2.65 3.00 18.98 3.38 71.41 0.00 0.46 0.11 10 D H G 57.27 10.44 19.34 30.47 96.65 61.69 -87.46 -5.25 22.36 2.66 74.98 7.45 5.26 10.64 3.19 70.89 0.00 2.32 0.25 11 I E E 21.32 20.78 16.76 37.12 116.48 84.77 -101.51 126.20 37.08 47.68 15.24 23.35 11.08 6.56 6.27 8.66 0.19 39.84 4.04 12 I E E 33.61 17.52 20.00 37.45 113.94 -140.63 -97.78 123.28 17.79 80.39 1.83 14.62 2.31 0.78 1.39 0.69 0.00 72.44 7.75 13 L E E 60.15 15.27 20.95 35.35 105.71 -168.61 -96.86 6.49 26.13 73.20 0.66 21.02 5.18 0.66 0.42 0.28 0.00 70.50 1.93 14 A E E 38.93 11.00 22.85 34.29 133.39 29.18 -140.53 147.32 37.87 62.00 0.13 24.84 13.17 0.41 0.04 0.07 0.00 60.88 0.59 15 P C E 46.93 15.76 20.14 35.23 114.79 -103.28 -67.30 146.74 51.54 48.28 0.18 45.99 4.08 0.47 0.06 0.13 0.00 48.18 1.09 16 V C C 28.32 18.93 17.67 36.37 111.58 -121.94 -86.22 122.32 61.94 37.63 0.43 56.16 3.99 0.57 0.25 0.25 0.00 28.76 10.01 17 V C C 58.69 13.55 18.30 31.77 114.75 -168.77 -109.32 120.13 86.72 12.89 0.38 76.41 9.57 0.72 0.19 0.21 0.00 10.02 2.89 18 S C C 38.21 8.14 16.38 25.86 131.33 138.37 -123.99 170.45 93.25 4.08 2.67 56.73 35.42 1.53 2.26 0.56 0.00 1.61 1.88 19 E H H 147.12 1.91 15.99 18.59 90.99 -98.54 -60.64 -36.17 24.96 0.41 74.63 3.69 5.74 15.78 60.37 13.77 0.23 0.21 0.21 20 K H H 128.66 3.25 17.06 21.17 92.67 52.87 -66.86 -36.88 22.72 0.37 76.90 2.92 3.11 15.72 60.02 17.66 0.19 0.23 0.16 21 S H H 12.88 19.38 11.69 30.53 95.27 48.66 -74.39 -31.76 18.36 0.69 80.95 4.29 2.78 10.63 60.70 20.79 0.13 0.47 0.21 22 Y H H 108.95 8.37 16.57 25.89 93.27 66.38 -63.71 -39.95 17.78 0.90 81.32 5.90 3.35 9.10 64.72 15.92 0.16 0.58 0.28 23 G H H 39.59 2.43 19.10 21.00 92.25 53.07 -64.90 -36.75 31.16 1.26 67.57 5.80 4.35 20.57 53.74 13.91 0.31 0.86 0.45 24 L H H 37.91 12.73 13.99 27.65 94.26 53.04 -71.29 -31.89 29.53 2.23 68.24 9.23 4.89 15.57 51.00 16.80 0.24 1.60 0.68 25 L H H 58.60 15.19 12.34 26.98 93.46 61.56 -65.47 -39.57 26.10 1.73 72.17 7.82 4.15 13.89 50.69 21.48 0.20 1.25 0.52 26 D H H 116.05 1.50 16.76 17.86 93.90 54.99 -70.22 -21.85 34.39 1.74 63.87 6.40 4.97 22.03 42.43 21.95 0.39 1.18 0.65 27 Q C T 113.01 3.41 15.93 19.96 96.73 52.27 -89.90 2.63 74.39 0.52 25.09 3.83 11.05 59.60 12.04 12.76 0.03 0.27 0.44 28 N C T 94.62 8.52 16.33 25.77 96.14 -111.23 61.67 35.71 98.83 0.37 0.80 8.07 9.26 81.65 0.17 0.53 0.00 0.25 0.07 29 T C C 34.92 13.79 17.21 31.72 125.12 137.35 -111.20 144.69 64.31 35.57 0.12 57.32 5.33 0.35 0.03 0.09 0.00 35.50 1.39 30 Y E E 31.44 18.37 20.47 38.67 117.71 -133.99 -98.38 135.78 15.47 84.50 0.03 14.88 0.49 0.04 0.01 0.01 0.00 84.18 0.38 31 T E E 22.07 17.38 23.73 40.76 127.14 -164.32 -120.13 139.47 3.18 96.81 0.00 3.14 0.06 0.00 0.00 0.00 0.00 96.74 0.05 32 F E E 9.19 23.12 21.92 44.66 126.23 -169.10 -122.06 136.82 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 33 V E E 35.61 13.51 26.56 40.45 115.84 -147.47 -105.26 124.87 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.77 0.01 34 V E E 6.85 23.69 16.98 40.80 129.94 -175.79 -124.43 149.09 3.03 96.97 0.00 3.00 0.07 0.00 0.00 0.00 0.00 96.60 0.33 35 K C C 76.17 8.44 23.06 32.04 112.03 -104.94 -69.56 136.79 94.97 5.02 0.01 95.04 0.43 0.02 0.00 0.01 0.00 4.37 0.12 36 P C T 57.75 14.63 15.12 30.02 91.13 -127.14 -61.25 -25.53 98.94 0.34 0.72 0.58 3.33 95.12 0.02 0.69 0.00 0.22 0.05 37 T C T 104.14 1.79 21.34 22.55 92.99 59.10 -88.18 -0.52 99.09 0.17 0.74 0.62 2.79 95.70 0.02 0.74 0.00 0.11 0.02 38 A C C 10.93 20.89 9.67 30.35 116.87 122.41 -68.58 143.23 98.74 1.00 0.25 76.76 21.78 0.27 0.06 0.17 0.00 0.37 0.59 39 N C C 77.11 3.65 24.00 26.68 124.88 -139.12 -94.21 165.64 95.09 4.72 0.18 94.39 0.73 0.06 0.11 0.02 0.00 0.66 4.04 40 K H H 90.74 15.23 14.69 29.39 91.03 -101.84 -58.96 -37.46 1.77 0.00 98.22 0.21 0.23 1.10 98.29 0.16 0.00 0.00 0.00 41 T H H 86.82 2.42 22.35 24.05 91.65 53.26 -64.26 -40.58 0.96 0.00 99.03 0.08 0.08 0.71 98.98 0.15 0.00 0.00 0.00 42 E H H 65.21 10.53 20.76 31.67 92.07 49.22 -65.48 -40.60 0.19 0.00 99.81 0.03 0.01 0.11 99.77 0.08 0.00 0.00 0.00 43 I H H 1.72 27.15 16.00 44.05 91.00 49.81 -63.43 -43.53 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 44 K H H 77.42 13.67 22.48 35.19 91.36 51.64 -62.20 -42.35 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 45 I H H 79.39 3.49 25.88 28.90 91.65 49.39 -63.99 -42.55 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 46 A H H 6.57 17.61 20.56 39.03 91.53 50.07 -63.52 -43.50 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 47 I H H 2.68 26.03 17.30 43.83 91.61 48.58 -64.28 -43.12 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 48 E H H 88.23 9.45 20.00 29.70 92.08 50.33 -64.16 -41.08 0.06 0.00 99.94 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 49 Q H H 115.22 3.13 21.56 24.64 93.59 46.11 -69.00 -40.18 0.26 0.00 99.74 0.01 0.01 0.25 99.70 0.03 0.00 0.00 0.00 50 I H H 38.27 16.37 17.45 33.43 99.61 36.46 -85.86 -40.32 1.85 0.00 98.15 0.02 0.05 1.86 98.00 0.07 0.00 0.00 0.00 51 F H H 26.40 19.12 15.31 34.55 102.13 23.64 -108.76 -9.34 8.19 0.05 91.76 0.42 1.11 6.37 91.89 0.14 0.02 0.01 0.03 52 G C C 49.71 3.15 22.49 25.76 94.51 -122.83 69.02 29.31 99.57 0.28 0.15 52.71 28.74 18.16 0.05 0.09 0.00 0.16 0.09 53 V C C 18.65 20.19 11.96 32.09 124.89 135.74 -112.08 143.82 94.87 5.10 0.03 82.82 12.19 0.19 0.01 0.02 0.00 4.26 0.51 54 K C C 125.10 3.31 24.44 27.67 112.92 -133.72 -93.03 126.41 85.71 14.27 0.02 84.89 0.99 0.07 0.00 0.01 0.00 13.64 0.41 55 V E E 20.91 23.29 10.84 33.49 112.13 -138.06 -85.12 123.12 18.82 81.15 0.03 19.93 0.26 0.02 0.01 0.02 0.00 78.72 1.04 56 T E E 77.51 4.09 21.59 26.06 99.37 175.98 -92.69 -31.11 20.60 79.37 0.03 13.08 7.50 0.22 0.00 0.03 0.00 79.03 0.14 57 S E E 48.08 5.29 23.50 29.60 141.60 -0.10 -157.58 155.51 3.48 96.51 0.01 2.59 0.55 0.04 0.00 0.01 0.00 96.76 0.04 58 V E E 34.36 22.77 11.98 33.53 127.06 -164.58 -133.68 133.65 1.37 98.63 0.00 1.22 0.06 0.00 0.00 0.00 0.00 98.70 0.02 59 N E E 71.14 5.50 24.44 30.18 127.14 -175.43 -127.57 143.14 1.15 98.84 0.00 0.95 0.06 0.00 0.00 0.00 0.00 98.98 0.01 60 T E E 46.41 19.14 13.42 31.51 126.05 -161.61 -123.06 136.74 0.95 99.05 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.10 0.01 61 M E E 75.06 7.23 19.72 28.14 126.04 -172.21 -126.18 139.36 0.94 99.06 0.00 0.83 0.04 0.00 0.00 0.00 0.00 99.08 0.05 62 N E E 80.97 10.75 14.61 26.25 117.10 -149.11 -104.00 128.08 5.38 94.62 0.01 4.54 0.51 0.03 0.00 0.00 0.00 94.75 0.16 63 R E E 94.08 9.06 13.87 24.41 124.19 -172.43 -117.22 142.24 36.71 63.22 0.07 33.07 2.32 0.19 0.01 0.06 0.00 63.41 0.94 64 K C C 149.91 2.17 16.69 19.60 112.05 -111.86 -78.22 136.01 64.87 34.94 0.19 55.05 6.87 1.12 0.03 0.18 0.00 35.88 0.88 65 G C C 28.53 12.86 9.17 21.85 123.21 -128.97 -91.25 165.30 61.82 38.00 0.18 49.32 9.97 1.81 0.03 0.19 0.00 37.72 0.96 66 K E E 127.47 2.87 15.63 19.48 122.73 -111.28 -109.56 145.37 28.13 71.78 0.09 25.66 1.93 0.22 0.03 0.07 0.00 70.59 1.51 67 V E E 95.16 6.50 10.27 18.68 116.37 -125.86 -92.16 132.80 14.27 85.70 0.04 13.50 0.59 0.06 0.01 0.02 0.00 85.27 0.55 68 R E E 121.57 4.45 10.98 17.57 123.08 -171.66 -122.00 139.64 6.52 93.44 0.04 5.75 0.54 0.09 0.01 0.02 0.00 93.25 0.34 69 R E E 176.54 1.76 9.72 13.23 114.76 -131.12 -89.26 127.27 12.17 87.78 0.06 10.60 1.05 0.16 0.02 0.03 0.00 87.40 0.74 70 T E E 61.64 4.54 7.59 14.31 129.94 172.85 -126.23 169.83 48.33 51.56 0.12 43.97 2.31 0.38 0.03 0.08 0.00 52.44 0.79 71 R C T 209.44 0.28 9.31 8.36 91.81 -90.75 -63.08 -28.10 98.98 0.74 0.28 15.54 32.83 50.60 0.03 0.28 0.00 0.62 0.09 72 T C T 117.26 0.70 8.76 9.44 98.94 42.33 -97.35 -1.84 99.04 0.67 0.29 13.02 32.07 53.92 0.02 0.32 0.00 0.55 0.09 73 G E E 35.37 2.23 12.61 15.92 135.46 -72.55 138.71 -175.81 41.66 58.25 0.10 30.12 10.97 1.10 0.02 0.10 0.00 56.84 0.86 74 V E E 105.72 3.71 9.99 15.83 120.67 -53.40 -102.21 142.43 16.79 83.19 0.02 14.86 1.04 0.11 0.01 0.01 0.00 83.53 0.44 75 G E E 30.47 5.11 12.92 19.91 136.81 161.07 -156.39 174.83 6.24 93.75 0.01 5.14 0.75 0.08 0.00 0.01 0.00 93.86 0.16 76 K E E 133.49 4.50 13.35 19.96 120.40 -86.97 -104.12 141.27 5.45 94.55 0.01 4.94 0.32 0.02 0.00 0.00 0.00 92.59 2.12 77 R C C 93.33 10.60 11.72 23.39 123.05 -156.92 -112.19 143.52 57.71 42.26 0.04 55.51 1.42 0.08 0.01 0.03 0.00 42.30 0.66 78 P C C 73.98 5.54 16.39 23.02 114.54 -102.72 -67.59 151.70 75.94 23.80 0.27 53.13 15.33 5.65 0.03 0.32 0.00 25.07 0.47 79 D C C 72.21 10.65 15.12 26.24 105.01 -109.79 -75.73 82.02 77.60 22.13 0.27 44.74 24.49 6.98 0.02 0.36 0.00 22.91 0.51 80 T E E 38.44 12.22 17.10 30.35 128.72 123.66 -123.61 146.38 32.06 67.89 0.05 28.26 2.90 0.18 0.01 0.04 0.00 67.67 0.93 81 K E E 45.14 15.53 18.33 34.18 127.42 -159.43 -121.86 142.49 7.71 92.29 0.00 7.17 0.29 0.01 0.00 0.00 0.00 92.29 0.25 82 R E E 72.47 13.34 22.69 35.92 124.77 -155.24 -115.77 140.41 1.84 98.16 0.00 1.67 0.07 0.00 0.00 0.00 0.00 98.22 0.04 83 A E E 5.74 22.40 18.58 41.48 122.74 -160.93 -113.78 137.20 0.79 99.21 0.00 0.76 0.01 0.00 0.00 0.00 0.00 99.21 0.01 84 I E E 40.22 11.67 25.49 38.08 117.43 -155.79 -109.74 125.25 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.01 85 V E E 5.75 24.17 18.88 43.47 121.61 -168.37 -116.50 131.64 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 86 T E E 42.55 10.16 26.81 37.59 119.86 -160.98 -110.68 132.36 1.20 98.80 0.00 1.16 0.02 0.00 0.00 0.00 0.00 98.79 0.03 87 V E E 9.78 22.93 14.58 37.62 123.84 -162.63 -112.16 141.57 10.97 89.02 0.00 11.10 0.19 0.01 0.00 0.00 0.00 87.81 0.88 88 A C C 38.54 7.33 18.93 27.45 118.41 -114.70 -73.09 157.41 87.10 12.78 0.12 84.80 1.85 0.25 0.02 0.10 0.00 12.30 0.68 89 E C T 141.75 3.48 15.53 20.83 109.40 -81.79 -60.82 134.77 96.91 1.79 1.31 1.13 6.84 89.25 0.08 1.15 0.00 1.24 0.30 90 G C T 59.51 1.47 16.77 17.84 96.71 20.81 86.43 -4.45 97.42 1.36 1.22 2.49 6.71 88.04 0.05 1.45 0.00 1.14 0.13 91 D C C 52.45 13.40 11.70 25.52 116.12 128.93 -78.57 138.33 87.15 12.12 0.73 81.44 5.04 0.56 0.10 0.65 0.00 11.31 0.90 92 R E E 142.59 5.75 18.59 26.29 124.07 -161.12 -119.80 136.74 44.18 55.55 0.27 42.47 1.13 0.23 0.11 0.15 0.00 48.03 7.87 93 I E E 26.81 20.73 12.84 33.11 120.59 -164.19 -112.89 129.50 48.23 51.52 0.25 46.69 1.33 0.24 0.09 0.13 0.00 49.18 2.35 94 D C C 79.70 6.06 21.94 28.62 109.00 -140.10 -91.71 112.59 60.42 39.10 0.48 57.93 1.62 0.40 0.14 0.23 0.00 38.31 1.36 95 I C C 45.43 18.32 14.50 32.15 99.23 176.89 -90.26 -17.28 78.57 19.05 2.38 39.04 22.36 17.89 0.40 2.06 0.00 16.99 1.25 96 F C C 94.43 10.72 15.54 26.75 110.51 54.51 -102.29 84.56 78.29 19.45 2.25 33.53 25.01 21.57 0.37 1.95 0.01 15.35 2.21 97 T C C 84.54 5.83 14.07 21.30 114.88 127.07 -102.83 125.63 87.00 11.64 1.37 54.73 25.14 7.42 0.27 1.29 0.00 9.18 1.97 98 G C C 36.34 6.12 12.79 20.44 129.50 47.29 155.39 176.93 90.86 8.83 0.31 51.93 37.27 2.37 0.06 0.29 0.00 6.70 1.38 99 P C C 97.56 3.83 12.59 18.02 112.63 -58.04 -71.21 144.02 90.39 8.77 0.84 69.53 15.13 5.50 0.17 0.80 0.00 7.21 1.66 100 V C C 103.32 5.08 8.95 15.97 113.35 -137.38 -93.56 129.41 87.72 11.54 0.73 84.97 1.14 2.44 0.24 0.34 0.00 7.50 3.36 101 A C C 79.28 3.70 11.59 17.17 115.89 -140.88 -97.65 134.55 99.32 0.67 0.01 99.33 0.11 0.03 0.00 0.00 0.00 0.48 0.04