# 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 56.16 14.79 14.98 29.76 122.39 -165.42 -108.86 139.55 98.48 1.51 0.01 98.20 0.36 0.06 0.00 0.00 0.00 1.31 0.08 1 E E B 96.25 6.41 15.19 23.09 125.94 -164.74 -117.96 146.34 7.88 92.04 0.09 6.96 0.26 0.02 0.10 0.01 0.00 18.97 73.68 2 N C C 51.32 9.71 10.12 21.16 123.58 -132.08 -84.45 174.10 92.76 7.09 0.15 93.11 0.63 0.20 0.04 0.07 0.00 4.53 1.42 3 D C T 126.43 1.64 11.65 14.42 92.62 -88.31 -66.51 -18.29 97.96 1.04 0.99 1.00 4.57 92.42 0.04 1.00 0.00 0.85 0.13 4 R C T 168.98 1.51 12.09 13.81 93.97 54.54 -88.52 2.09 98.83 0.16 1.01 0.37 3.59 94.97 0.03 0.93 0.00 0.09 0.03 5 G C S 41.29 5.41 11.95 19.01 97.74 -102.52 87.30 5.94 98.67 0.72 0.61 10.72 85.65 2.53 0.04 0.45 0.00 0.40 0.21 6 E C C 89.50 5.80 13.58 21.17 118.03 137.96 -88.01 140.00 92.89 6.94 0.17 81.89 10.66 0.53 0.07 0.11 0.00 4.09 2.66 7 I E B 73.46 10.14 14.66 26.13 114.33 -125.64 -90.42 128.10 11.42 88.40 0.17 9.36 0.79 0.08 0.16 0.04 0.00 25.27 64.30 8 V C C 42.34 13.72 14.98 29.60 121.83 -168.73 -110.98 136.83 72.04 27.70 0.26 67.63 2.68 0.41 0.08 0.17 0.00 27.51 1.52 9 D C C 67.53 10.45 18.50 29.40 116.34 -147.15 -102.41 124.97 70.53 28.88 0.59 58.57 9.32 1.55 0.18 0.47 0.00 26.98 2.93 10 L C C 55.62 14.79 16.34 31.19 109.51 -158.82 -98.49 96.27 62.64 36.35 1.00 45.50 13.91 3.23 0.33 0.81 0.00 31.54 4.67 11 Y C C 101.21 11.10 19.07 30.27 115.29 90.75 -100.20 124.49 58.74 40.65 0.61 40.44 16.45 2.24 0.24 0.51 0.00 32.92 7.20 12 V C C 44.86 14.33 16.34 31.10 119.07 -165.11 -111.66 126.84 69.19 30.54 0.26 51.63 17.44 0.64 0.12 0.18 0.00 26.69 3.29 13 P C C 53.43 10.66 17.49 29.02 112.50 -113.10 -67.18 144.61 76.76 21.24 2.00 68.44 5.47 2.02 0.99 1.02 0.00 19.25 2.82 14 R C C 119.33 10.59 15.17 26.07 102.26 -132.40 -76.59 -17.64 67.89 15.24 16.87 39.75 19.52 9.30 9.00 7.76 0.16 10.04 4.49 15 K C C 129.27 4.22 17.84 22.89 106.85 60.33 -84.51 50.32 57.22 22.52 20.25 31.23 17.23 10.11 10.83 8.96 0.48 15.03 6.11 16 C C C 44.81 12.74 12.55 25.73 110.70 55.63 -89.22 108.03 52.41 25.69 21.89 34.87 10.02 6.68 12.88 9.25 0.24 14.52 11.54 17 S C C 48.47 9.79 13.89 24.44 110.51 64.36 -86.46 146.35 61.68 14.53 23.79 39.30 10.41 11.98 12.37 10.98 0.14 8.51 6.31 18 A C T 74.35 5.96 14.01 20.76 96.60 -104.19 -73.17 -19.65 72.91 3.95 23.13 9.56 16.32 47.25 10.40 11.94 0.22 2.43 1.88 19 T C T 85.48 4.29 14.70 19.80 98.25 51.39 -89.19 -2.58 79.73 2.48 17.80 8.62 17.60 53.68 7.53 9.63 0.07 1.48 1.39 20 G C S 42.89 8.12 13.23 22.22 98.36 -113.55 76.74 13.51 90.31 5.15 4.54 33.09 36.80 20.95 0.99 3.30 0.00 3.17 1.69 21 R C C 123.44 6.22 15.21 22.87 117.36 139.20 -97.35 139.96 82.28 15.66 2.05 61.46 16.31 4.20 0.79 1.39 0.00 12.17 3.69 22 I C C 87.36 9.89 15.35 25.92 113.98 -130.36 -88.41 128.80 58.37 40.00 1.63 45.34 9.86 1.74 0.93 0.93 0.01 29.89 11.30 23 I C C 47.19 15.39 12.57 28.18 118.72 -151.16 -101.48 132.21 52.94 45.80 1.26 45.18 4.85 0.84 0.91 0.58 0.01 37.07 10.57 24 K C C 115.23 4.95 18.25 24.10 120.06 -140.14 -91.93 147.79 70.92 27.34 1.75 63.06 5.24 1.56 0.93 0.91 0.00 23.98 4.32 25 A C C 57.65 11.03 11.18 22.64 99.17 -111.03 -65.59 -17.98 70.39 9.24 20.37 31.11 16.89 24.21 5.78 13.35 0.08 6.31 2.30 26 K C T 157.62 1.67 16.28 17.88 96.60 57.75 -79.07 -13.11 74.59 4.69 20.72 20.22 22.65 33.43 4.96 14.18 0.06 2.74 1.78 27 D C T 72.86 8.04 13.66 22.74 104.23 66.94 -95.08 17.70 72.50 5.07 22.43 24.25 24.00 26.09 4.59 16.13 0.04 2.62 2.28 28 H C T 99.36 10.87 14.98 25.84 99.24 -127.74 -68.70 10.52 71.30 5.98 22.72 26.15 17.43 29.19 3.69 18.00 0.03 3.30 2.22 29 G C T 31.51 10.22 16.95 27.66 98.01 87.78 -76.44 -14.39 72.10 7.28 20.63 22.58 20.93 29.81 2.14 18.05 0.02 4.97 1.49 30 S C C 44.53 11.52 18.75 30.35 104.53 67.23 -91.22 8.76 62.40 21.44 16.16 32.98 16.13 14.78 1.83 13.87 0.02 18.91 1.48 31 C E E 26.76 17.31 17.11 34.39 122.15 113.37 -107.24 136.79 30.95 67.75 1.30 25.03 5.26 1.25 0.33 0.91 0.00 66.05 1.18 32 Q E E 76.85 12.03 21.52 33.50 123.60 -159.00 -114.52 134.11 7.80 92.07 0.12 7.05 0.67 0.09 0.07 0.06 0.00 91.13 0.93 33 I E E 31.42 18.78 18.22 36.91 121.98 -165.43 -118.30 130.63 5.44 94.53 0.03 5.11 0.29 0.03 0.01 0.02 0.00 94.23 0.30 34 T E E 53.71 10.81 22.70 33.87 111.97 -137.17 -89.13 122.01 7.09 92.89 0.02 6.70 0.29 0.03 0.00 0.01 0.00 92.69 0.26 35 I E E 27.07 19.63 18.65 37.97 101.40 176.08 -96.39 -23.82 13.17 86.68 0.14 9.28 3.89 0.45 0.03 0.09 0.00 85.83 0.43 36 A E E 16.22 16.09 19.22 35.49 136.13 -3.68 -148.10 155.93 13.02 86.89 0.09 8.98 3.89 0.39 0.02 0.06 0.00 86.38 0.29 37 K E E 103.83 7.18 22.40 30.09 117.18 -125.14 -97.82 132.69 10.23 89.72 0.05 8.21 1.73 0.15 0.01 0.03 0.00 89.67 0.20 38 V E E 28.61 17.24 11.27 28.60 126.12 -163.98 -117.02 144.20 6.42 93.54 0.04 5.97 0.45 0.02 0.03 0.01 0.00 77.09 16.42 39 D C C 59.11 4.40 15.16 20.86 124.32 -127.18 -81.52 174.05 95.95 4.02 0.03 96.24 0.40 0.06 0.01 0.01 0.00 2.85 0.43 40 E C T 162.22 1.72 11.60 14.79 90.50 -88.54 -63.54 -20.77 99.31 0.30 0.39 0.48 3.66 95.26 0.02 0.32 0.00 0.22 0.03 41 N C T 128.27 0.74 13.80 13.16 92.83 53.95 -89.03 1.12 99.57 0.08 0.35 0.35 3.71 95.56 0.01 0.31 0.00 0.04 0.02 42 G C S 30.16 10.67 10.74 22.36 95.88 -105.52 83.89 7.98 98.94 0.59 0.46 19.55 77.56 1.96 0.04 0.35 0.00 0.31 0.21 43 R C C 124.82 3.36 17.09 21.61 118.38 139.11 -84.64 142.58 93.00 6.85 0.15 88.26 4.50 0.46 0.05 0.09 0.00 4.78 1.86 44 A E E 41.02 14.24 11.87 26.38 114.00 -111.06 -72.95 137.62 6.09 93.84 0.08 5.27 0.37 0.04 0.09 0.02 0.00 54.06 40.15 45 I E E 62.58 9.96 13.18 24.74 113.79 -135.64 -89.24 129.18 49.31 50.37 0.32 45.23 2.66 0.56 0.07 0.25 0.00 49.72 1.49 46 Q C E 135.78 3.08 14.81 19.27 110.45 -107.11 -70.91 133.13 63.29 34.70 2.01 23.22 19.39 22.34 0.25 1.76 0.01 31.67 1.36 47 G C S 50.85 3.56 15.45 19.85 102.35 26.43 86.85 -5.07 75.84 22.03 2.13 14.44 35.64 26.07 0.16 1.93 0.00 20.80 0.95 48 E C C 103.75 6.71 15.23 23.05 110.32 102.09 -97.08 118.01 70.12 28.23 1.65 44.12 20.46 5.53 0.18 1.66 0.00 26.93 1.12 49 N E E 70.73 13.06 14.87 27.81 118.68 -134.69 -106.90 132.27 40.71 58.92 0.37 32.73 6.36 1.08 0.05 0.35 0.00 58.68 0.74 50 I E E 46.75 13.75 18.76 33.08 122.57 -162.74 -116.81 134.75 6.87 93.11 0.02 6.18 0.48 0.04 0.00 0.01 0.00 93.02 0.27 51 I E E 47.64 15.36 20.90 36.26 119.58 -151.99 -107.47 129.91 1.47 98.52 0.00 1.36 0.05 0.00 0.00 0.00 0.00 98.51 0.06 52 Y E E 23.57 19.87 22.22 41.73 123.70 -170.44 -122.81 136.02 1.18 98.81 0.00 1.12 0.04 0.00 0.00 0.00 0.00 98.79 0.05 53 A E E 14.57 19.21 25.57 44.28 118.26 -141.13 -99.57 133.17 4.07 95.92 0.01 3.70 0.19 0.01 0.00 0.00 0.00 95.99 0.10 54 F E E 12.52 22.93 22.78 45.05 122.66 -164.35 -113.13 136.13 20.02 79.92 0.06 19.14 0.63 0.05 0.02 0.03 0.00 78.47 1.66 55 S C C 16.19 16.93 22.09 38.69 129.84 -126.97 -110.99 163.62 78.16 21.25 0.60 74.86 2.78 0.28 0.42 0.17 0.00 20.18 1.31 56 G H H 27.58 10.73 21.90 32.91 95.47 -52.97 -45.05 -51.56 6.71 0.07 93.21 1.01 1.60 4.28 91.43 1.58 0.03 0.04 0.02 57 F H H 91.55 6.86 22.67 29.92 91.98 49.40 -65.18 -39.63 1.88 0.03 98.09 0.28 0.23 1.35 96.72 1.39 0.01 0.02 0.00 58 V H H 11.42 19.01 15.49 34.95 92.03 50.47 -65.29 -41.77 0.93 0.03 99.04 0.18 0.11 0.61 97.42 1.66 0.00 0.02 0.00 59 R H H 82.11 14.01 15.86 29.66 91.75 51.29 -63.70 -40.78 1.54 0.02 98.44 0.24 0.13 1.07 97.02 1.52 0.00 0.01 0.00 60 A H H 76.71 3.23 17.66 21.68 90.75 54.17 -66.36 -29.25 12.40 0.03 87.57 0.53 0.62 11.25 86.16 1.38 0.03 0.01 0.02 61 M C T 107.80 4.90 15.91 21.82 93.75 52.23 -87.28 -1.49 68.84 0.07 31.08 0.83 2.22 64.07 31.66 1.14 0.01 0.02 0.06 62 G C T 48.51 4.75 16.52 22.49 97.35 -108.02 80.61 10.93 98.18 0.13 1.68 6.93 7.22 84.17 1.24 0.32 0.00 0.06 0.06 63 E C C 80.20 10.89 15.20 26.85 109.56 133.00 -91.12 105.14 95.19 1.11 3.70 81.94 9.04 4.12 2.66 0.97 0.00 0.42 0.85 64 S C C 38.51 13.64 17.20 30.58 113.84 106.78 -95.33 154.58 86.35 0.80 12.85 73.41 7.27 4.94 11.81 1.76 0.00 0.30 0.50 65 D H H 67.08 13.32 18.66 31.10 95.98 62.53 -68.75 -31.39 22.95 0.24 76.80 12.66 5.24 6.16 73.21 2.51 0.01 0.09 0.12 66 D H H 83.38 4.67 22.83 27.35 93.02 55.57 -66.07 -39.17 8.33 0.07 91.60 2.77 1.30 4.31 88.62 2.92 0.02 0.03 0.03 67 A H H 27.49 10.46 20.66 32.05 92.19 51.87 -64.95 -41.85 4.74 0.06 95.20 1.68 0.62 2.46 92.12 3.06 0.01 0.03 0.02 68 L H H 16.22 20.90 19.07 39.40 92.11 50.11 -64.62 -42.58 2.50 0.04 97.46 0.75 0.36 1.36 96.39 1.11 0.01 0.02 0.01 69 N H H 47.05 12.83 21.30 34.05 91.81 51.19 -63.71 -41.48 1.91 0.03 98.06 0.76 0.24 0.90 97.73 0.35 0.00 0.01 0.01 70 R H H 115.66 3.73 24.58 27.96 91.62 50.20 -64.35 -42.34 0.88 0.01 99.11 0.23 0.09 0.49 98.99 0.20 0.00 0.01 0.00 71 L H H 29.26 12.58 20.17 33.71 92.03 49.82 -64.58 -42.89 0.41 0.01 99.58 0.08 0.04 0.24 99.49 0.15 0.00 0.00 0.00 72 A H H 7.89 18.19 15.20 34.28 91.80 50.29 -63.98 -42.48 0.47 0.00 99.52 0.10 0.03 0.28 99.41 0.17 0.00 0.00 0.00 73 Q H H 97.76 5.89 17.54 24.43 92.16 49.20 -64.84 -41.28 0.96 0.00 99.04 0.12 0.05 0.71 98.77 0.35 0.00 0.00 0.00 74 R H H 162.26 2.10 17.63 19.90 91.82 51.52 -66.28 -34.36 4.16 0.01 95.84 0.09 0.12 4.03 95.40 0.36 0.00 0.00 0.00 75 D C T 71.36 8.19 13.95 23.33 93.78 48.53 -88.37 -0.66 75.36 0.02 24.62 0.32 0.81 73.39 24.99 0.46 0.00 0.00 0.02 76 G C T 50.24 3.23 17.50 21.42 94.13 -112.70 78.49 12.61 98.94 0.01 1.05 0.93 1.35 96.82 0.81 0.09 0.00 0.00 0.00 77 L C S 46.91 13.28 14.41 28.46 96.78 121.80 -80.44 -25.22 94.49 1.25 4.26 33.39 50.20 10.80 2.52 1.84 0.00 0.50 0.75 78 L C S 31.46 19.70 12.37 30.91 112.45 43.43 -110.58 86.53 76.24 11.18 12.58 30.09 30.12 16.54 5.52 6.52 0.13 4.84 6.24 79 K C T 128.02 4.92 18.14 24.22 102.61 136.28 -86.09 -21.37 71.45 7.04 21.50 26.90 15.43 30.03 5.76 15.21 0.03 4.67 1.96 80 N C T 103.05 4.97 18.74 24.37 101.11 13.89 -68.48 38.59 71.29 7.08 21.62 25.13 18.07 29.65 5.49 15.00 0.05 4.77 1.83 81 V C C 50.68 15.64 13.08 28.47 112.27 135.34 -97.33 120.54 67.36 12.99 19.65 38.23 16.85 12.91 8.12 11.45 0.09 8.46 3.89 82 W C C 100.48 11.24 15.17 27.14 118.33 -159.51 -104.01 134.23 68.26 16.78 14.97 41.92 16.53 9.81 8.94 6.38 0.11 10.92 5.39 83 S C C 46.22 8.75 15.15 25.23 121.84 -168.91 -115.10 144.09 75.21 12.43 12.36 58.10 10.31 5.89 8.62 4.34 0.01 9.11 3.62 84 A C C 58.79 9.39 12.57 22.86 96.84 -131.48 -69.07 -23.95 58.42 5.45 36.14 23.83 14.57 20.66 22.34 13.26 0.14 3.65 1.56 85 Q C H 123.46 3.05 14.23 18.25 99.10 64.11 -77.39 -19.23 56.04 4.30 39.65 21.79 13.95 20.68 25.14 14.19 0.14 2.79 1.32 86 R C H 126.38 6.88 12.27 20.37 101.02 59.74 -81.58 6.07 50.23 4.43 45.34 25.18 12.57 12.93 28.38 16.81 0.10 2.63 1.42 87 C C C 65.15 9.10 11.54 21.51 101.63 71.67 -79.71 -13.66 48.47 5.97 45.56 27.33 9.00 12.14 26.72 19.14 0.06 4.02 1.59 88 A C C 70.87 5.00 14.24 20.45 99.76 64.45 -75.66 -12.12 49.89 8.02 42.08 21.89 10.72 18.07 20.58 21.04 0.14 5.58 1.98 89 F C C 108.60 8.00 14.14 23.08 105.11 59.35 -92.32 11.81 55.35 10.64 34.01 24.47 12.39 19.97 15.04 18.05 0.18 7.16 2.73 90 Y C C 89.35 12.93 12.04 25.16 116.92 97.97 -97.41 132.28 69.77 14.57 15.66 40.73 19.73 9.25 8.85 6.78 0.12 8.03 6.50 91 D C C 62.86 7.97 14.58 24.04 111.01 -149.77 -100.88 113.10 96.07 2.47 1.46 84.02 11.06 1.15 0.90 0.49 0.00 1.49 0.90 92 P C T 75.71 8.42 12.94 22.90 94.08 -159.89 -64.83 -22.47 65.17 1.38 33.45 18.35 7.19 39.53 12.45 21.01 0.01 0.91 0.55 93 T C T 85.27 4.15 14.86 19.94 93.64 67.15 -72.30 -19.32 58.16 2.75 39.10 11.73 7.79 38.43 14.25 24.83 0.12 1.84 1.02 94 L C G 70.36 9.91 12.16 22.99 97.06 64.24 -76.78 -20.57 48.00 8.12 43.88 22.23 10.86 16.83 13.17 29.33 0.08 5.66 1.85 95 L C C 74.25 10.44 10.75 21.81 104.29 67.75 -87.02 15.49 51.88 14.70 33.42 29.34 10.09 13.77 12.98 19.83 0.14 10.86 2.99 96 R C C 152.86 3.70 13.11 18.33 106.79 86.61 -86.77 79.27 71.21 11.89 16.90 58.41 3.02 10.15 9.09 6.67 0.01 9.05 3.60 97 I C C 87.06 9.66 12.45 22.75 106.46 72.22 -87.91 72.11 99.72 0.24 0.04 99.66 0.11 0.06 0.02 0.00 0.00 0.14 0.02