# 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 104.97 6.37 10.93 18.73 116.43 -157.56 -93.71 135.63 99.72 0.15 0.12 99.55 0.16 0.10 0.08 0.01 0.00 0.07 0.03 1 S C C 64.38 3.30 10.97 15.60 114.15 -120.29 -80.55 147.50 76.94 1.65 21.41 73.22 1.04 2.74 20.63 0.94 0.00 0.67 0.76 2 F H H 140.37 3.58 9.72 14.90 94.45 -124.31 -64.34 -33.17 20.15 0.68 79.17 10.47 4.02 7.35 73.73 3.76 0.03 0.36 0.27 3 A H H 69.81 3.10 10.60 15.02 93.14 56.62 -66.57 -36.39 13.87 0.65 85.48 6.66 2.57 5.83 78.79 5.50 0.03 0.42 0.20 4 L H H 102.43 2.44 11.64 15.11 93.41 52.75 -68.30 -37.27 10.35 0.88 88.77 5.56 1.86 3.80 81.20 6.67 0.03 0.68 0.20 5 R H H 141.64 2.98 12.08 16.33 94.44 53.56 -69.80 -32.49 11.99 1.26 86.76 6.36 2.06 4.67 79.88 5.73 0.04 1.00 0.27 6 L H H 98.40 4.63 11.48 17.43 95.30 54.26 -71.69 -30.86 14.96 1.45 83.59 6.78 2.74 6.84 77.34 4.81 0.08 1.03 0.39 7 G H H 49.66 2.98 12.95 16.97 97.86 53.21 -70.09 -26.88 22.20 1.36 76.44 9.81 4.17 10.03 70.06 4.57 0.08 0.86 0.42 8 S H H 74.93 2.98 12.51 16.56 100.31 57.72 -82.03 -16.03 31.16 1.94 66.91 13.94 5.74 13.54 59.16 5.67 0.11 1.26 0.59 9 S H H 68.65 4.60 11.57 17.64 101.64 68.07 -82.30 -7.39 34.99 2.86 62.15 18.03 6.61 12.70 53.20 6.65 0.10 1.93 0.79 10 I H H 106.33 5.08 10.73 17.25 102.60 66.94 -82.55 9.35 34.65 4.52 60.83 18.71 6.93 11.61 49.69 8.55 0.16 3.16 1.19 11 G H H 49.52 3.36 12.22 16.82 101.17 58.85 -76.88 -13.40 45.11 4.59 50.29 23.82 7.68 15.34 40.57 8.06 0.13 3.20 1.21 12 C C H 88.65 3.34 11.30 15.97 104.15 62.44 -88.46 12.81 55.57 5.05 39.38 31.12 8.70 16.28 31.92 7.13 0.07 3.42 1.36 13 F C C 124.89 5.65 10.08 17.27 110.78 89.01 -92.91 107.91 71.91 3.55 24.53 51.68 9.29 9.76 21.81 4.13 0.01 2.30 1.03 14 H C C 128.83 4.09 10.74 16.50 111.82 56.52 -95.00 118.84 78.64 4.02 17.34 62.61 6.92 8.08 15.07 3.39 0.00 2.94 1.00 15 R C C 159.94 3.19 10.81 15.68 112.32 -147.30 -93.03 122.72 74.57 7.32 18.11 56.35 9.47 7.97 14.55 4.39 0.01 5.77 1.49 16 T C C 90.57 4.12 10.54 16.35 114.29 -144.07 -96.84 128.14 68.71 13.30 17.98 53.16 8.03 6.63 14.02 4.65 0.02 11.24 2.25 17 I C C 107.42 5.18 10.27 17.17 113.86 -153.61 -97.11 123.53 64.04 18.56 17.40 50.23 7.24 5.56 13.97 4.08 0.02 16.16 2.74 18 L C C 107.80 4.78 10.53 17.02 114.76 -160.75 -96.91 127.14 67.27 17.18 15.54 50.90 8.39 6.75 12.74 3.62 0.02 15.45 2.14 19 G C C 46.27 5.00 11.22 17.71 117.78 -150.16 -98.88 154.92 71.28 14.16 14.56 52.34 10.00 7.95 11.28 3.97 0.01 12.68 1.77 20 R C C 159.13 3.62 11.27 16.51 111.82 -136.36 -95.95 121.97 60.53 19.11 20.35 41.29 11.84 7.36 15.52 5.31 0.05 16.47 2.16 21 D C C 99.69 4.14 11.27 17.01 110.89 -155.53 -94.18 112.46 54.89 24.20 20.92 38.75 9.61 6.18 15.80 5.57 0.05 22.07 1.96 22 I C C 96.17 6.38 10.33 18.33 115.19 -161.62 -99.93 125.22 46.13 33.58 20.29 35.60 5.86 4.00 15.66 4.88 0.05 31.77 2.17 23 I E E 99.78 5.65 10.44 17.84 116.11 -161.44 -99.53 128.83 40.21 42.79 17.00 31.56 4.47 3.28 13.83 3.80 0.07 40.14 2.85 24 Q E E 113.90 4.20 10.43 16.46 116.23 -159.66 -102.01 127.40 37.74 48.09 14.18 28.68 4.75 3.71 12.00 3.30 0.09 44.13 3.33 25 R C E 146.10 4.29 8.64 14.79 114.11 -155.23 -99.11 122.61 45.64 43.30 11.06 32.73 7.16 5.75 8.57 3.24 0.11 39.46 2.98 26 K C C 145.55 2.37 8.86 12.89 113.00 -164.18 -99.28 111.65 66.67 24.66 8.67 38.40 13.12 15.64 4.90 3.52 0.09 21.79 2.55 27 S C T 87.52 1.76 9.07 11.86 108.48 -42.11 -83.23 68.50 89.86 4.47 5.67 32.12 22.80 35.96 2.04 3.04 0.00 3.09 0.94 28 H C S 157.58 1.60 9.35 11.90 104.13 -10.52 -90.27 15.25 91.32 4.55 4.14 30.23 31.16 30.76 1.17 2.59 0.00 3.16 0.92 29 V C C 98.09 3.23 9.04 14.17 119.63 99.91 -106.36 139.80 69.64 27.88 2.48 35.46 28.77 7.16 1.12 1.48 0.02 22.54 3.46 30 V C C 90.22 4.97 10.00 16.83 116.17 -131.20 -93.75 133.74 58.41 39.00 2.58 43.47 11.32 3.56 1.40 1.43 0.01 35.24 3.57 31 S C C 59.09 6.28 11.05 19.04 117.20 -147.57 -98.61 139.10 51.53 43.66 4.81 40.38 6.44 4.28 2.64 2.59 0.02 38.40 5.25 32 Y C C 130.46 6.55 10.89 18.85 110.11 -157.29 -96.90 99.76 57.37 33.27 9.37 29.89 13.83 16.63 3.86 5.34 0.13 26.22 4.08 33 R C C 138.57 5.75 10.45 17.65 113.18 64.95 -99.11 119.98 65.68 25.27 9.05 30.18 18.68 20.15 3.06 5.41 0.14 18.54 3.85 34 N C C 113.12 2.86 11.75 16.10 112.22 79.15 -103.09 108.12 79.90 15.31 4.78 41.21 28.99 10.79 1.74 3.00 0.03 10.45 3.80 35 G C C 46.28 3.77 12.30 17.50 124.43 -103.93 -84.42 171.70 95.33 4.38 0.30 62.61 31.54 1.56 0.08 0.22 0.00 2.70 1.28 36 P C C 85.80 5.82 10.25 17.91 116.46 -74.36 -72.49 149.65 99.01 0.93 0.06 87.18 11.57 0.32 0.02 0.04 0.00 0.46 0.40 37 P C C 83.88 4.35 11.57 17.73 115.75 -99.90 -66.96 150.25 99.49 0.42 0.09 93.11 5.93 0.49 0.03 0.04 0.00 0.19 0.21 38 P C C 112.73 1.92 13.05 16.23 112.37 -99.73 -67.23 141.56 99.25 0.56 0.19 94.17 4.43 0.65 0.07 0.08 0.00 0.20 0.40 39 H C C 87.01 11.96 7.47 19.30 115.54 -114.23 -81.95 139.78 98.94 0.78 0.27 95.38 3.28 0.27 0.16 0.07 0.00 0.24 0.61 40 S C C 61.52 2.28 14.31 16.84 119.02 -116.65 -77.93 162.25 98.50 1.00 0.51 96.76 1.60 0.24 0.33 0.08 0.00 0.27 0.72 41 K H H 151.87 2.20 11.11 14.93 91.40 -106.12 -59.10 -36.83 2.38 0.01 97.61 0.50 0.45 1.27 97.39 0.38 0.00 0.00 0.00 42 A H H 77.17 1.33 13.83 14.71 91.83 53.96 -64.51 -40.11 1.04 0.00 98.96 0.15 0.10 0.65 98.73 0.36 0.00 0.00 0.00 43 T H H 57.25 6.41 13.30 21.37 92.26 48.57 -66.10 -40.44 0.38 0.00 99.62 0.08 0.03 0.21 99.40 0.28 0.00 0.00 0.00 44 K H H 79.79 9.79 13.85 24.53 91.70 51.12 -63.71 -42.45 0.16 0.00 99.84 0.03 0.01 0.08 99.81 0.07 0.00 0.00 0.00 45 I H H 95.65 2.51 18.20 20.37 91.86 49.03 -64.34 -42.23 0.18 0.00 99.82 0.02 0.01 0.10 99.83 0.03 0.00 0.00 0.00 46 G H H 35.05 2.88 18.70 21.52 91.43 49.93 -64.16 -41.92 0.20 0.00 99.80 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 47 A H H 28.38 9.93 15.37 26.90 91.85 50.82 -64.15 -41.75 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 48 L H H 75.51 7.57 17.94 26.23 91.86 50.24 -64.42 -41.28 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 49 T H H 79.93 2.17 20.32 21.36 91.78 49.11 -64.48 -42.67 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 50 V H H 76.35 3.67 19.88 23.58 91.93 48.15 -64.90 -42.11 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 51 G H H 20.16 9.69 16.09 27.19 91.77 50.72 -64.01 -41.81 0.23 0.00 99.77 0.02 0.01 0.16 99.79 0.02 0.00 0.00 0.00 52 G H H 31.62 4.58 18.07 23.41 91.63 51.11 -63.91 -41.71 0.22 0.00 99.78 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 53 A H H 59.76 2.36 19.22 20.86 91.70 49.89 -64.41 -41.74 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 54 M H H 79.53 5.61 17.05 23.67 91.83 50.30 -64.86 -41.35 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 55 W H H 114.93 6.71 16.64 24.25 91.89 50.39 -64.49 -41.60 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 56 W H H 139.79 2.63 18.02 20.40 91.75 49.94 -64.46 -41.60 0.08 0.00 99.92 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 57 W H H 125.46 3.57 17.65 21.69 91.88 49.83 -64.52 -42.08 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 58 V H H 54.15 8.14 15.58 25.02 91.86 49.68 -64.17 -42.43 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 59 I H H 80.17 4.49 17.04 22.42 91.66 49.80 -64.07 -41.96 0.13 0.00 99.87 0.00 0.00 0.11 99.85 0.03 0.00 0.00 0.00 60 W H H 128.63 2.61 17.61 20.11 91.70 49.88 -64.35 -41.74 0.22 0.00 99.78 0.01 0.01 0.19 99.74 0.06 0.00 0.00 0.00 61 H H H 66.62 6.86 14.62 23.29 92.18 49.95 -65.41 -39.88 0.31 0.00 99.69 0.01 0.01 0.27 99.48 0.22 0.00 0.00 0.00 62 L H H 65.28 8.45 12.90 22.83 91.98 51.73 -66.59 -36.01 0.73 0.00 99.27 0.01 0.02 0.70 98.64 0.62 0.00 0.00 0.00 63 W H H 164.43 2.51 15.29 18.15 94.59 46.19 -74.79 -34.22 2.93 0.00 97.07 0.04 0.09 2.88 96.53 0.46 0.00 0.00 0.00 64 H H H 126.02 2.39 14.50 17.17 100.34 34.73 -95.31 -25.81 10.21 0.03 89.76 0.29 0.99 9.03 89.26 0.38 0.03 0.01 0.02 65 E C C 77.20 6.83 11.39 20.05 110.91 28.15 -130.68 81.77 99.27 0.25 0.47 87.81 10.87 0.49 0.45 0.07 0.00 0.08 0.23 66 P H H 73.70 6.20 11.76 20.14 92.95 171.52 -62.54 -32.79 19.71 0.09 80.20 1.43 1.28 15.39 57.06 24.70 0.04 0.05 0.06 67 D H H 83.87 4.41 14.35 20.08 91.31 61.07 -66.68 -28.84 10.86 0.04 89.10 0.45 0.54 8.98 66.49 23.47 0.02 0.02 0.02 68 H H H 79.43 8.36 12.42 22.10 92.75 55.04 -68.74 -33.45 5.19 0.04 94.76 0.45 0.38 3.79 71.37 23.95 0.01 0.03 0.01 69 I H H 87.48 7.28 13.35 21.74 95.32 47.84 -75.35 -35.40 11.75 0.16 88.09 0.87 1.19 9.15 74.01 14.50 0.12 0.08 0.07 70 T H H 82.21 3.61 14.28 18.78 97.88 38.76 -93.74 -10.01 38.44 0.90 60.65 3.42 7.83 28.00 52.53 6.69 0.52 0.35 0.67 71 G C T 42.17 5.13 12.72 19.47 103.13 -118.98 78.94 14.21 97.77 0.84 1.39 30.52 25.15 42.33 0.45 0.78 0.00 0.43 0.35 72 E C C 120.93 4.38 12.33 18.18 109.96 130.25 -95.78 78.66 96.24 2.70 1.06 67.54 23.82 4.74 0.28 0.80 0.00 1.22 1.60 73 F C C 98.87 8.29 10.01 19.70 121.58 76.19 -107.63 137.16 96.61 2.72 0.67 79.21 14.83 2.31 0.19 0.50 0.00 1.30 1.65 74 D C C 111.06 2.45 15.40 18.70 111.76 -131.64 -87.28 127.58 98.13 1.53 0.34 67.65 28.65 1.81 0.09 0.25 0.00 0.66 0.89 75 Y C C 116.82 10.08 11.25 22.11 117.40 -124.46 -92.46 132.74 98.75 1.11 0.13 56.67 41.39 0.76 0.04 0.08 0.00 0.39 0.67 76 P C C 51.30 10.53 11.55 23.34 115.99 -107.40 -68.93 151.20 99.29 0.58 0.14 89.63 9.00 0.60 0.05 0.08 0.00 0.22 0.43 77 N C C 86.42 3.77 17.58 21.90 108.01 -114.22 -82.56 114.69 98.95 0.86 0.19 97.38 1.33 0.22 0.06 0.06 0.00 0.24 0.70 78 S H G 38.97 15.84 9.44 25.15 92.35 -157.22 -64.83 -23.68 14.55 0.18 85.27 2.12 1.68 9.16 1.11 85.79 0.00 0.12 0.02 79 R H G 169.72 2.32 14.77 18.21 90.80 65.52 -72.21 -17.01 13.92 0.09 85.99 0.60 1.02 10.91 0.99 86.40 0.00 0.06 0.01 80 K H G 147.56 1.64 16.14 17.33 96.42 51.64 -92.93 -10.05 13.51 0.19 86.30 1.39 1.78 9.02 1.24 86.43 0.00 0.12 0.02 81 W C C 63.11 13.49 8.78 22.77 120.92 87.75 -98.99 141.08 96.06 1.54 2.40 69.80 24.64 1.40 1.08 1.07 0.00 0.43 1.59 82 S C C 43.10 4.59 18.74 24.02 127.10 -152.33 -102.33 167.86 89.40 8.46 2.13 74.63 11.03 1.08 1.61 0.50 0.00 1.43 9.73 83 N H H 59.55 13.92 11.68 25.85 91.78 -104.22 -60.27 -36.09 41.56 2.17 56.28 4.51 12.30 26.26 37.27 15.18 1.52 0.65 2.32 84 T H H 101.85 1.69 16.29 18.05 92.25 54.02 -64.58 -38.99 37.58 0.18 62.24 1.03 2.84 32.54 33.46 29.75 0.16 0.09 0.15 85 E H H 106.61 5.27 15.09 21.58 92.20 51.37 -67.88 -32.55 34.01 0.31 65.68 1.09 2.64 28.90 35.00 31.69 0.24 0.16 0.27 86 L H T 49.46 13.55 12.07 26.16 95.06 43.44 -92.72 -4.30 39.97 0.46 59.57 1.85 4.24 32.37 31.81 28.71 0.31 0.21 0.50 87 G C T 51.36 2.41 18.93 21.09 95.15 -113.47 80.22 13.94 99.39 0.12 0.49 13.80 5.90 79.81 0.13 0.24 0.00 0.06 0.05 88 V C C 35.21 14.24 9.02 23.82 117.43 133.73 -96.42 132.09 97.24 2.57 0.19 78.55 17.80 0.46 0.08 0.10 0.00 0.74 2.28 89 P C C 70.43 3.98 15.16 20.33 114.06 -108.06 -65.50 148.74 98.52 0.84 0.64 95.09 2.45 1.07 0.14 0.43 0.00 0.36 0.46 90 K C C 130.89 6.15 11.13 18.88 97.79 -108.75 -65.38 -22.88 76.52 1.80 21.68 39.38 12.88 22.31 1.54 22.17 0.00 0.88 0.85 91 D C T 112.51 2.36 10.87 14.51 101.18 58.92 -82.34 15.05 78.24 1.59 20.16 21.26 16.08 39.48 1.12 20.59 0.00 0.85 0.62 92 G C C 52.95 3.39 10.47 15.37 101.02 31.16 -22.31 7.95 81.31 1.47 17.22 53.25 5.14 21.54 1.39 17.28 0.00 0.86 0.54 93 F C C 110.99 8.14 9.99 19.22 108.93 116.26 -90.38 86.24 99.77 0.16 0.07 99.49 0.24 0.12 0.02 0.01 0.00 0.08 0.04