#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a9h n LEU 24 N 0.00 0.00 -0.01 0.00 7.94 -1.26 -4.93 117.00 118.74 2a9h n LEU 24 Ca 0.00 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 2a9h n LEU 24 Cb 0.00 0.14 0.60 0.00 0.53 0.00 0.00 43.42 44.69 2a9h n LEU 24 CO 0.00 -0.14 1.17 1.12 -1.11 0.00 0.00 177.39 178.44 2a9h h HIS 25 N 0.00 0.20 0.10 1.96 2.07 -1.98 0.48 115.15 117.98 2a9h h HIS 25 Ca 0.00 0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2a9h h HIS 25 Cb 0.00 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 29.92 2a9h h HIS 25 CO 0.00 0.09 -0.05 2.35 -3.07 0.00 0.00 177.93 177.25 2a9h h TRP 26 N 0.18 -0.12 -0.08 6.12 -0.00 -1.92 -3.05 115.95 117.09 2a9h h TRP 26 Ca 0.24 -0.00 0.03 0.00 -0.00 0.00 0.00 58.89 59.16 2a9h h TRP 26 Cb 0.71 0.04 -0.04 0.00 -0.00 0.00 0.00 29.16 29.87 2a9h h TRP 26 CO -0.00 -0.08 -0.14 -0.09 -0.00 0.00 0.00 178.44 178.13 2a9h h ARG 27 N -0.65 -0.19 -0.83 2.65 9.65 -1.89 0.85 114.38 123.98 2a9h h ARG 27 Ca -0.01 0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.07 2a9h h ARG 27 Cb 0.10 0.04 -0.12 0.00 -1.39 0.00 0.00 29.97 28.61 2a9h h ARG 27 CO 0.02 -0.13 0.29 0.00 2.80 0.00 0.00 179.97 182.95 2a9h h ALA 28 N 0.82 1.21 -0.18 2.80 0.00 -0.21 0.41 119.26 124.10 2a9h h ALA 28 Ca 0.08 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2a9h h ALA 28 Cb 0.31 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2a9h h ALA 28 CO -0.20 -0.34 -0.28 0.00 0.00 0.00 0.00 179.25 178.43 2a9h h ALA 29 N 1.67 0.28 -0.79 0.00 0.00 -1.26 -1.40 119.26 117.75 2a9h h ALA 29 Ca 0.49 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2a9h h ALA 29 Cb 0.90 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2a9h h ALA 29 CO -0.53 0.29 0.38 0.78 0.00 0.00 0.00 179.25 180.17 2a9h h GLY 30 N 0.17 1.21 1.38 0.00 0.00 0.73 -2.81 103.07 103.75 2a9h h GLY 30 Ca 0.02 -0.59 -0.21 0.00 0.00 0.00 0.00 47.33 46.55 2a9h h GLY 30 CO 0.07 0.56 -0.79 0.00 0.00 0.00 0.00 176.54 176.38 2a9h h ALA 31 N 1.29 0.42 -1.01 3.60 0.00 -0.27 -3.21 119.26 120.09 2a9h h ALA 31 Ca 0.27 -0.62 0.24 0.00 0.00 0.00 0.00 54.91 54.80 2a9h h ALA 31 Cb 0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.75 2a9h h ALA 31 CO -0.04 0.73 0.60 0.00 0.00 0.00 0.00 179.25 180.54 2a9h h ALA 32 N 0.72 1.79 -0.70 0.00 0.00 -0.98 0.37 119.26 120.46 2a9h h ALA 32 Ca -0.05 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2a9h h ALA 32 Cb 1.40 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2a9h h ALA 32 CO 0.15 -0.25 0.46 1.15 0.00 0.00 0.00 179.25 180.76 2a9h h THR 33 N 0.60 0.95 -0.28 0.00 2.02 -1.55 -1.98 112.91 112.68 2a9h h THR 33 Ca 0.63 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.60 2a9h h THR 33 Cb 1.19 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2a9h h THR 33 CO -0.46 0.11 0.16 0.58 0.37 0.00 0.00 175.52 176.29 2a9h h VAL 34 N 0.62 1.11 0.19 3.16 2.07 -0.40 -2.45 116.25 120.55 2a9h h VAL 34 Ca 0.31 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2a9h h VAL 34 Cb 0.41 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2a9h h VAL 34 CO -0.11 0.11 -0.51 -0.07 0.02 0.00 0.00 177.57 177.02 2a9h h LEU 35 N 0.35 -1.50 -1.15 2.57 3.38 -1.30 -0.41 115.31 117.25 2a9h h LEU 35 Ca 0.10 0.15 0.21 0.00 0.09 0.00 0.00 57.88 58.43 2a9h h LEU 35 Cb 0.04 0.54 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 2a9h h LEU 35 CO -0.02 -0.57 0.62 0.25 0.09 0.00 0.00 178.44 178.81 2a9h h LEU 36 N -0.79 0.66 -0.26 1.67 6.46 -1.49 -0.08 115.31 121.49 2a9h h LEU 36 Ca -0.01 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 2a9h h LEU 36 Cb 0.77 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 2a9h h LEU 36 CO -0.24 0.22 0.10 0.58 -0.62 0.00 0.00 178.44 178.47 2a9h h VAL 37 N 0.64 1.18 0.61 1.05 2.07 -0.78 -1.32 116.25 119.71 2a9h h VAL 37 Ca 0.57 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 2a9h h VAL 37 Cb 1.06 1.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2a9h h VAL 37 CO -0.34 0.18 -0.30 0.40 0.02 0.00 0.00 177.57 177.54 2a9h h ILE 38 N 0.26 0.00 -1.07 4.57 2.04 0.52 -2.93 117.51 120.91 2a9h h ILE 38 Ca 0.09 -0.15 0.30 0.00 1.00 0.00 0.00 64.86 66.09 2a9h h ILE 38 Cb 0.19 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.21 2a9h h ILE 38 CO -0.01 0.00 0.74 0.58 0.00 0.00 0.00 178.15 179.46 2a9h h VAL 39 N -0.97 0.48 0.53 1.67 2.07 -1.19 -1.35 116.25 117.49 2a9h h VAL 39 Ca -0.08 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2a9h h VAL 39 Cb 0.63 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2a9h h VAL 39 CO 0.14 0.03 -0.29 -0.07 0.02 0.00 0.00 177.57 177.40 2a9h h LEU 40 N 0.15 -0.71 0.21 2.57 3.38 -1.08 0.22 115.31 120.06 2a9h h LEU 40 Ca 0.55 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.55 2a9h h LEU 40 Cb 1.86 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.78 2a9h h LEU 40 CO -0.11 -0.46 -0.23 -0.07 0.09 0.00 0.00 178.44 177.65 2a9h h LEU 41 N -0.75 -0.63 -0.13 1.67 4.07 -1.19 -1.62 115.31 116.73 2a9h h LEU 41 Ca -0.07 0.06 0.02 0.00 0.08 0.00 0.00 57.88 57.97 2a9h h LEU 41 Cb 0.59 0.22 -0.05 0.00 1.08 0.00 0.00 40.66 42.50 2a9h h LEU 41 CO 0.10 -0.34 -0.40 0.00 -1.08 0.00 0.00 178.44 176.72 2a9h h ALA 42 N 0.21 -0.75 -0.51 1.53 0.00 -1.31 -1.27 119.26 117.16 2a9h h ALA 42 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2a9h h ALA 42 Cb 0.46 0.91 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 2a9h h ALA 42 CO -0.07 -0.90 -0.17 0.78 0.00 0.00 0.00 179.25 178.89 2a9h h GLY 43 N -0.40 0.27 -0.08 0.00 0.00 -0.89 0.47 103.07 102.44 2a9h h GLY 43 Ca 0.03 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.64 2a9h h GLY 43 CO -0.34 -0.21 -0.40 1.76 0.00 0.00 0.00 176.54 177.36 2a9h h SER 44 N -0.05 -1.27 -0.28 0.19 0.02 -0.68 0.42 113.55 111.89 2a9h h SER 44 Ca 0.24 0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 61.31 2a9h h SER 44 Cb 0.43 0.54 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2a9h h SER 44 CO -0.55 -0.39 -0.05 1.88 -1.14 0.00 0.00 176.83 176.58 2a9h h TYR 45 N -0.40 0.68 -0.30 3.45 -1.99 -0.54 0.34 116.97 118.22 2a9h h TYR 45 Ca 0.11 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2a9h h TYR 45 Cb 0.59 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 2a9h h TYR 45 CO -0.52 0.67 0.14 1.25 -0.00 0.00 0.00 178.16 179.70 2a9h h LEU 46 N 0.60 0.39 -0.16 3.88 5.85 0.13 -2.58 115.31 123.43 2a9h h LEU 46 Ca 0.12 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2a9h h LEU 46 Cb 0.44 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2a9h h LEU 46 CO 0.02 0.41 -0.44 0.00 -0.34 0.00 0.00 178.44 178.10 2a9h h ALA 47 N 0.99 0.26 -0.27 1.25 0.00 -0.06 -3.29 119.26 118.14 2a9h h ALA 47 Ca 0.10 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2a9h h ALA 47 Cb 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2a9h h ALA 47 CO -0.01 0.39 -0.47 0.28 0.00 0.00 0.00 179.25 179.44 2a9h h VAL 48 N 0.21 0.08 -1.17 0.00 2.07 -0.86 0.90 116.25 117.49 2a9h h VAL 48 Ca -0.01 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.84 2a9h h VAL 48 Cb 1.06 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 2a9h h VAL 48 CO 0.09 0.00 0.82 0.17 0.02 0.00 0.00 177.57 178.68 2a9h h LEU 49 N -0.44 0.08 0.00 2.57 8.10 -1.55 0.71 115.31 124.78 2a9h h LEU 49 Ca 0.09 0.02 0.00 0.00 0.11 0.00 0.00 57.88 58.10 2a9h h LEU 49 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 2a9h h LEU 49 CO -0.50 0.01 -0.09 0.00 -4.11 0.00 0.00 178.44 173.75 2a9h h ALA 50 N 1.45 0.00 -1.15 0.17 0.00 -0.64 -3.39 119.26 115.70 2a9h h ALA 50 Ca 0.57 -0.26 0.33 0.00 0.00 0.00 0.00 54.91 55.56 2a9h h ALA 50 Cb 2.15 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.97 2a9h h ALA 50 CO -0.06 0.09 0.81 0.93 0.00 0.00 0.00 179.25 181.02 2a9h h GLU 51 N -0.21 0.08 -0.72 0.00 4.39 0.82 0.28 114.58 119.21 2a9h h GLU 51 Ca 0.00 -0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.85 2a9h h GLU 51 Cb 0.09 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.61 2a9h h GLU 51 CO 0.00 0.05 0.13 -0.09 -1.16 0.00 0.00 179.01 177.94 2a9h h ARG 52 N 0.08 0.21 -2.37 2.33 2.43 0.28 -2.83 114.38 114.51 2a9h h ARG 52 Ca 0.57 -0.01 -0.67 0.00 -0.81 0.00 0.00 59.98 59.06 2a9h h ARG 52 Cb 2.10 -0.05 -0.37 0.00 -0.42 0.00 0.00 29.97 31.23 2a9h h ARG 52 CO -0.07 0.14 -0.12 0.41 -1.51 0.00 0.00 179.97 178.82 2a9h n GLY 53 N -1.36 5.24 0.00 2.80 0.00 0.09 -4.93 105.19 107.03 2a9h n GLY 53 Ca 0.13 -2.74 0.00 0.00 0.00 0.00 0.00 46.02 43.42 2a9h n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a9h n ALA 54 N 0.59 0.00 -1.54 4.61 0.00 -1.07 -5.02 120.51 118.08 2a9h n ALA 54 Ca 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.58 2a9h n ALA 54 Cb 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.69 2a9h n ALA 54 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2a9h n PRO 55 N -0.37 0.34 -2.21 0.00 -0.02 -1.26 -4.81 135.00 126.66 2a9h n PRO 55 Ca 0.00 -0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 60.96 2a9h n PRO 55 Cb 0.00 -2.61 -0.01 0.00 -0.02 0.00 0.00 33.50 30.86 2a9h n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a9h n GLY 56 N 6.28 4.00 3.24 -1.23 0.00 -1.26 -3.90 105.19 112.32 2a9h n GLY 56 Ca 0.55 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 2a9h n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a9h s ALA 57 N -2.11 -0.89 -1.22 4.61 0.00 -1.15 -4.88 121.76 116.11 2a9h s ALA 57 Ca 0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 2a9h s ALA 57 Cb 0.00 -2.91 0.19 0.00 0.00 0.00 0.00 23.12 20.41 2a9h s ALA 57 CO 0.02 -4.81 1.62 0.00 0.00 0.00 0.00 175.76 172.59 2a9h n ALA 58 N -5.83 4.72 0.07 0.00 0.00 -1.26 -4.49 120.51 113.71 2a9h n ALA 58 Ca 0.14 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.22 2a9h n ALA 58 Cb 0.61 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.15 2a9h n ALA 58 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2a9h n LEU 59 N 4.19 0.28 -2.91 0.00 4.32 -1.26 -4.95 117.00 116.68 2a9h n LEU 59 Ca 0.36 0.22 -0.11 0.00 -0.02 0.00 0.00 56.01 56.46 2a9h n LEU 59 Cb 0.38 0.05 -0.01 0.00 -1.62 0.00 0.00 43.42 42.22 2a9h n LEU 59 CO 0.71 -0.69 -0.05 2.30 -1.22 0.00 0.00 177.39 178.44 2a9h n ILE 60 N -3.16 -0.20 -3.61 -0.08 -5.35 -1.26 -4.77 119.36 100.91 2a9h n ILE 60 Ca 0.00 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.45 2a9h n ILE 60 Cb 0.00 -0.55 -0.02 0.00 -1.74 0.00 0.00 39.64 37.33 2a9h n ILE 60 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2a9h s SER 61 N -2.28 -0.08 -0.01 7.28 1.04 -1.26 -4.94 113.70 113.45 2a9h s SER 61 Ca 0.18 -0.01 -0.23 0.00 0.48 0.00 0.00 55.95 56.36 2a9h s SER 61 Cb -0.10 0.09 -0.19 0.00 0.10 0.00 0.00 66.02 65.92 2a9h s SER 61 CO 0.22 -0.15 1.22 1.88 0.98 0.00 0.00 173.24 177.38 2a9h h TYR 62 N 2.00 0.25 -1.30 5.02 0.05 -1.91 -0.15 116.97 120.92 2a9h h TYR 62 Ca -0.09 -0.09 0.38 0.00 0.05 0.00 0.00 58.73 58.98 2a9h h TYR 62 Cb 1.15 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.80 2a9h h TYR 62 CO 0.29 0.73 1.00 -1.35 -1.05 0.00 0.00 178.16 177.79 2a9h h PRO 63 N -0.31 0.00 0.00 4.88 0.11 -1.97 0.51 132.00 135.22 2a9h h PRO 63 Ca 0.00 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.68 2a9h h PRO 63 Cb 0.73 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.77 2a9h h PRO 63 CO 0.03 0.00 -2.49 -0.25 -0.21 0.00 0.00 178.00 175.08 2a9h n ASP 64 N -3.97 1.97 -0.03 -2.05 9.92 -1.21 -4.32 116.55 116.87 2a9h n ASP 64 Ca 0.28 0.14 -0.10 0.00 -0.53 0.00 0.00 54.79 54.59 2a9h n ASP 64 Cb 1.42 -0.66 -0.04 0.00 -0.64 0.00 0.00 41.12 41.20 2a9h n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a9h h ALA 65 N -0.57 0.18 -0.91 2.24 0.00 0.06 -2.37 119.26 117.90 2a9h h ALA 65 Ca -0.65 0.02 0.22 0.00 0.00 0.00 0.00 54.91 54.50 2a9h h ALA 65 Cb 1.73 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.41 2a9h h ALA 65 CO -0.28 -0.38 0.42 -0.07 0.00 0.00 0.00 179.25 178.94 2a9h h LEU 66 N 0.14 0.39 -1.00 0.00 3.38 -0.25 0.38 115.31 118.35 2a9h h LEU 66 Ca 0.07 0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2a9h h LEU 66 Cb 0.04 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2a9h h LEU 66 CO -0.07 0.03 0.07 -0.25 0.09 0.00 0.00 178.44 178.31 2a9h h TRP 67 N 0.44 0.82 -0.57 1.13 2.91 -1.62 -2.38 115.95 116.69 2a9h h TRP 67 Ca 0.56 -0.09 -0.10 0.00 1.13 0.00 0.00 58.89 60.39 2a9h h TRP 67 Cb 1.04 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.44 2a9h h TRP 67 CO -0.12 0.73 -0.03 2.35 -1.03 0.00 0.00 178.44 180.34 2a9h h TRP 68 N 0.75 1.12 -0.60 2.65 7.01 0.01 -2.90 115.95 124.00 2a9h h TRP 68 Ca 0.16 -0.21 -0.03 0.00 2.11 0.00 0.00 58.89 60.93 2a9h h TRP 68 Cb 0.36 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 2a9h h TRP 68 CO 0.02 1.01 0.27 0.77 -2.79 0.00 0.00 178.44 177.72 2a9h h SER 69 N 0.90 0.79 -0.16 2.65 0.02 -0.89 -1.12 113.55 115.75 2a9h h SER 69 Ca 0.16 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.00 2a9h h SER 69 Cb 0.59 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 2a9h h SER 69 CO 0.04 0.72 -0.09 0.58 -1.14 0.00 0.00 176.83 176.93 2a9h h VAL 70 N 0.82 0.72 -0.25 2.27 2.07 -1.31 0.15 116.25 120.72 2a9h h VAL 70 Ca 0.20 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 2a9h h VAL 70 Cb 0.15 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2a9h h VAL 70 CO -0.02 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 177.34 2a9h h GLU 71 N -0.08 0.37 -0.30 1.57 4.39 -1.36 -2.20 114.58 116.97 2a9h h GLU 71 Ca 0.09 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2a9h h GLU 71 Cb 0.22 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2a9h h GLU 71 CO -0.21 0.39 0.20 1.15 -1.16 0.00 0.00 179.01 179.38 2a9h h THR 72 N 0.26 1.02 -0.01 1.13 2.02 -0.85 0.30 112.91 116.77 2a9h h THR 72 Ca 0.08 -0.11 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 2a9h h THR 72 Cb 0.16 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2a9h h THR 72 CO -0.01 0.06 -0.62 0.00 0.37 0.00 0.00 175.52 175.32 2a9h h ALA 73 N 1.83 0.95 -0.87 6.16 0.00 -0.27 -3.02 119.26 124.05 2a9h h ALA 73 Ca 0.12 -0.56 -0.43 0.00 0.00 0.00 0.00 54.91 54.04 2a9h h ALA 73 Cb 0.10 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 17.54 2a9h h ALA 73 CO -0.03 0.77 0.54 2.41 0.00 0.00 0.00 179.25 182.95 2a9h n THR 74 N -3.81 2.94 -2.89 0.00 -1.04 -0.39 -3.62 114.28 105.48 2a9h n THR 74 Ca -0.01 -1.68 -0.15 0.00 -2.04 0.00 0.00 64.05 60.16 2a9h n THR 74 Cb 0.62 -0.51 -0.01 0.00 -1.82 0.00 0.00 70.33 68.62 2a9h n THR 74 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2a9h n THR 75 N -0.86 -0.60 0.00 12.58 -2.24 -1.06 -4.85 114.28 117.25 2a9h n THR 75 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 2a9h n THR 75 Cb 1.52 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2a9h n THR 75 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2a9h n VAL 76 N -3.44 0.00 -3.21 2.28 0.31 0.90 -5.01 118.33 110.16 2a9h n VAL 76 Ca -0.06 0.35 -0.05 0.00 -0.01 0.00 0.00 64.34 64.57 2a9h n VAL 76 Cb 0.56 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 2a9h n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a9h n GLY 77 N 1.98 -1.25 0.42 2.92 0.00 -1.20 -4.90 105.19 103.16 2a9h n GLY 77 Ca 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 2a9h n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2a9h h TYR 78 N 0.29 -1.36 0.00 1.61 -1.99 -1.93 -3.47 116.97 110.12 2a9h h TYR 78 Ca -0.13 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.65 2a9h h TYR 78 Cb 1.08 0.63 0.00 0.00 2.00 0.00 0.00 36.73 40.44 2a9h h TYR 78 CO 0.21 -0.49 0.00 0.41 -0.00 0.00 0.00 178.16 178.29 2a9h n GLY 79 N -1.43 1.05 0.50 3.88 0.00 -1.26 -4.97 105.19 102.96 2a9h n GLY 79 Ca -0.04 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.30 2a9h n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2a9h h ASP 80 N 1.50 0.13 -2.26 1.61 2.03 -2.03 -3.32 116.42 114.07 2a9h h ASP 80 Ca 0.00 0.03 -0.33 0.00 -0.73 0.00 0.00 57.03 55.99 2a9h h ASP 80 Cb 0.00 0.01 -0.34 0.00 -0.83 0.00 0.00 39.33 38.17 2a9h h ASP 80 CO 0.00 0.01 -0.64 -0.76 -1.03 0.00 0.00 179.24 176.83 2a9h s LEU 81 N -8.74 -0.17 0.11 0.15 1.43 -1.26 -4.62 118.68 105.58 2a9h s LEU 81 Ca -0.06 -0.64 0.08 0.00 -1.03 0.00 0.00 54.13 52.48 2a9h s LEU 81 Cb 0.24 0.45 -0.04 0.00 0.03 0.00 0.00 46.19 46.87 2a9h s LEU 81 CO 0.81 -0.38 -0.14 -0.72 0.23 0.00 0.00 176.35 176.15 2a9h s TYR 82 N 2.34 2.62 0.46 0.29 -0.85 -1.25 -4.93 117.35 116.03 2a9h s TYR 82 Ca 0.09 -0.22 -0.22 0.00 -0.52 0.00 0.00 57.07 56.21 2a9h s TYR 82 Cb -0.14 -1.38 -0.08 0.00 0.38 0.00 0.00 41.96 40.74 2a9h s TYR 82 CO -0.28 0.41 1.07 -1.25 -1.52 0.00 0.00 175.55 173.98 2a9h s PRO 83 N -2.20 3.84 0.13 -3.49 0.04 -1.26 -2.95 135.00 129.10 2a9h s PRO 83 Ca 0.20 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2a9h s PRO 83 Cb -0.11 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2a9h s PRO 83 CO 0.12 -0.42 0.00 0.28 0.04 0.00 0.00 177.00 177.02 2a9h n VAL 84 N -0.68 0.59 -0.80 -0.36 0.31 -1.26 -4.72 118.33 111.41 2a9h n VAL 84 Ca 0.08 0.20 -0.33 0.00 -0.01 0.00 0.00 64.34 64.28 2a9h n VAL 84 Cb 0.51 -1.06 0.12 0.00 -0.91 0.00 0.00 33.84 32.50 2a9h n VAL 84 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2a9h n THR 85 N -3.24 0.00 0.13 2.52 -1.04 -1.25 -4.52 114.28 106.87 2a9h n THR 85 Ca 0.00 -0.20 -0.15 0.00 -2.04 0.00 0.00 64.05 61.66 2a9h n THR 85 Cb 0.00 -0.61 -0.08 0.00 -1.82 0.00 0.00 70.33 67.82 2a9h n THR 85 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2a9h h LEU 86 N -1.56 -1.33 0.29 -4.42 5.85 -1.98 0.19 115.31 112.35 2a9h h LEU 86 Ca -0.44 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2a9h h LEU 86 Cb 1.28 0.49 -0.03 0.00 0.37 0.00 0.00 40.66 42.77 2a9h h LEU 86 CO 0.34 -0.52 -0.43 -0.25 -0.34 0.00 0.00 178.44 177.24 2a9h h TRP 87 N -0.70 -1.20 -0.76 1.25 2.91 -1.96 0.53 115.95 116.01 2a9h h TRP 87 Ca 0.01 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.21 2a9h h TRP 87 Cb 0.71 0.49 -0.11 0.00 -0.51 0.00 0.00 29.16 29.75 2a9h h TRP 87 CO -0.38 -0.56 0.26 0.78 -1.03 0.00 0.00 178.44 177.51 2a9h h GLY 88 N -0.78 1.14 1.10 2.65 0.00 -1.76 -0.40 103.07 105.02 2a9h h GLY 88 Ca -0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 2a9h h GLY 88 CO -0.15 -0.16 -0.30 3.21 0.00 0.00 0.00 176.54 179.14 2a9h h ARG 89 N 0.36 0.94 -0.99 4.80 3.08 -0.10 -3.05 114.38 119.42 2a9h h ARG 89 Ca 0.43 -0.45 0.11 0.00 0.07 0.00 0.00 59.98 60.14 2a9h h ARG 89 Cb 0.72 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.68 2a9h h ARG 89 CO -0.47 1.11 0.62 0.00 -1.07 0.00 0.00 179.97 180.16 2a9h h VAL 91 N 1.02 1.22 -0.40 0.00 2.07 -1.17 -1.41 116.25 117.57 2a9h h VAL 91 Ca 0.47 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.47 2a9h h VAL 91 Cb 0.41 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 2a9h h VAL 91 CO -0.24 0.25 0.02 0.00 0.02 0.00 0.00 177.57 177.62 2a9h h ALA 92 N 1.15 0.39 -0.48 1.67 0.00 -1.21 0.42 119.26 121.20 2a9h h ALA 92 Ca 0.23 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2a9h h ALA 92 Cb 0.10 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2a9h h ALA 92 CO -0.03 -0.38 -0.02 0.28 0.00 0.00 0.00 179.25 179.10 2a9h h VAL 93 N 0.13 1.27 -0.63 0.00 2.07 -1.29 0.64 116.25 118.44 2a9h h VAL 93 Ca 0.20 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 2a9h h VAL 93 Cb 0.27 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2a9h h VAL 93 CO -0.31 0.39 0.24 0.58 0.02 0.00 0.00 177.57 178.49 2a9h h VAL 94 N 0.72 1.23 -0.02 2.57 2.07 -0.56 -2.03 116.25 120.24 2a9h h VAL 94 Ca 0.13 -0.74 -0.15 0.00 0.82 0.00 0.00 66.70 66.76 2a9h h VAL 94 Cb 0.55 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2a9h h VAL 94 CO 0.03 0.29 -0.70 1.62 0.02 0.00 0.00 177.57 178.83 2a9h h VAL 95 N 0.88 1.46 0.13 2.57 3.04 -0.09 -2.87 116.25 121.37 2a9h h VAL 95 Ca 0.21 -2.28 -0.01 0.00 -1.01 0.00 0.00 66.70 63.61 2a9h h VAL 95 Cb 0.21 2.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2a9h h VAL 95 CO -0.02 0.66 -0.06 0.24 -1.01 0.00 0.00 177.57 177.38 2a9h h MET 96 N 0.08 -0.17 -0.79 4.17 2.07 -0.55 0.16 114.93 119.89 2a9h h MET 96 Ca -0.01 0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 2a9h h MET 96 Cb 1.23 0.04 -0.04 0.00 -1.87 0.00 0.00 31.60 30.96 2a9h h MET 96 CO 0.10 0.04 0.47 -0.39 1.07 0.00 0.00 176.91 178.20 2a9h h VAL 97 N -0.36 1.22 -0.16 -2.22 -1.51 -1.42 -0.45 116.25 111.35 2a9h h VAL 97 Ca -0.02 -0.49 -0.05 0.00 -1.23 0.00 0.00 66.70 64.91 2a9h h VAL 97 Cb 0.29 0.11 -0.00 0.00 -2.13 0.00 0.00 31.29 29.56 2a9h h VAL 97 CO 0.03 0.23 -0.11 0.00 -1.23 0.00 0.00 177.57 176.49 2a9h h ALA 98 N 1.43 0.23 -0.63 5.19 0.00 -1.35 -0.83 119.26 123.29 2a9h h ALA 98 Ca 0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2a9h h ALA 98 Cb -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2a9h h ALA 98 CO -0.05 0.07 0.28 0.78 0.00 0.00 0.00 179.25 180.33 2a9h h GLY 99 N 0.01 0.99 0.91 0.00 0.00 -0.41 -1.82 103.07 102.75 2a9h h GLY 99 Ca 0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 2a9h h GLY 99 CO 0.03 0.49 -0.17 -2.22 0.00 0.00 0.00 176.54 174.67 2a9h h ILE 100 N 0.88 1.30 -0.30 2.60 2.04 -1.10 -1.88 117.51 121.04 2a9h h ILE 100 Ca 0.21 -1.28 0.04 0.00 1.00 0.00 0.00 64.86 64.83 2a9h h ILE 100 Cb 0.16 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 2a9h h ILE 100 CO -0.02 0.41 0.08 0.74 0.00 0.00 0.00 178.15 179.35 2a9h h THR 101 N 0.37 0.89 -0.71 -0.27 2.02 -1.01 0.81 112.91 115.00 2a9h h THR 101 Ca 0.06 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2a9h h THR 101 Cb 0.70 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 2a9h h THR 101 CO 0.05 0.04 0.26 0.28 0.37 0.00 0.00 175.52 176.51 2a9h h SER 102 N 0.20 1.00 -0.07 4.18 0.02 -1.32 -2.40 113.55 115.16 2a9h h SER 102 Ca 0.13 -0.19 -0.16 0.00 -0.84 0.00 0.00 61.79 60.74 2a9h h SER 102 Cb 0.13 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2a9h h SER 102 CO -0.16 0.92 -0.50 1.88 -1.14 0.00 0.00 176.83 177.84 2a9h h TYR 103 N 1.03 0.78 0.10 3.45 0.05 -0.78 -3.24 116.97 118.35 2a9h h TYR 103 Ca 0.23 -0.26 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2a9h h TYR 103 Cb 0.25 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 2a9h h TYR 103 CO 0.02 1.00 -0.06 0.78 -1.05 0.00 0.00 178.16 178.85 2a9h h GLY 104 N 0.99 -0.15 0.13 3.88 0.00 0.92 -2.21 103.07 106.63 2a9h h GLY 104 Ca 0.02 0.06 0.24 0.00 0.00 0.00 0.00 47.33 47.65 2a9h h GLY 104 CO 0.10 -0.06 0.64 1.41 0.00 0.00 0.00 176.54 178.63 2a9h h LEU 105 N -0.15 0.34 -0.25 3.11 4.07 -1.47 0.95 115.31 121.91 2a9h h LEU 105 Ca -0.01 0.04 -0.12 0.00 0.08 0.00 0.00 57.88 57.87 2a9h h LEU 105 Cb 0.12 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 2a9h h LEU 105 CO 0.01 0.11 -0.32 0.58 -1.08 0.00 0.00 178.44 177.74 2a9h h VAL 106 N 0.32 1.31 -0.79 1.22 2.07 -1.45 0.30 116.25 119.24 2a9h h VAL 106 Ca 0.50 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 2a9h h VAL 106 Cb 1.40 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.83 2a9h h VAL 106 CO -0.18 0.48 0.38 -0.26 0.02 0.00 0.00 177.57 178.01 2a9h h PHE 107 N 0.37 1.14 0.09 1.57 -1.00 -0.31 -2.54 116.94 116.27 2a9h h PHE 107 Ca 0.03 -0.06 -0.25 0.00 2.81 0.00 0.00 57.97 60.50 2a9h h PHE 107 Cb 0.90 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.11 2a9h h PHE 107 CO 0.08 0.83 -1.14 0.00 -1.61 0.00 0.00 178.31 176.48 2a9h h ALA 108 N 1.20 0.20 -0.53 2.45 0.00 -1.19 -3.25 119.26 118.14 2a9h h ALA 108 Ca 0.27 -0.84 0.07 0.00 0.00 0.00 0.00 54.91 54.42 2a9h h ALA 108 Cb 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2a9h h ALA 108 CO -0.03 0.95 0.19 0.00 0.00 0.00 0.00 179.25 180.36 2a9h h ALA 109 N 0.67 0.66 -0.37 0.00 0.00 -0.14 -0.95 119.26 119.14 2a9h h ALA 109 Ca -0.11 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2a9h h ALA 109 Cb 1.84 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 2a9h h ALA 109 CO 0.19 -0.21 0.02 -0.39 0.00 0.00 0.00 179.25 178.86 2a9h h VAL 110 N 0.37 1.20 -0.36 0.00 -1.51 -1.55 -2.70 116.25 111.70 2a9h h VAL 110 Ca 0.26 -0.77 -0.01 0.00 -1.23 0.00 0.00 66.70 64.94 2a9h h VAL 110 Cb 0.29 0.90 -0.02 0.00 -2.13 0.00 0.00 31.29 30.33 2a9h h VAL 110 CO -0.26 0.27 0.17 0.00 -1.23 0.00 0.00 177.57 176.52 2a9h h ALA 111 N 1.49 0.47 -0.19 5.19 0.00 -1.23 0.42 119.26 125.40 2a9h h ALA 111 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2a9h h ALA 111 Cb 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2a9h h ALA 111 CO 0.01 0.04 0.10 1.15 0.00 0.00 0.00 179.25 180.55 2a9h h THR 112 N 0.45 1.01 -0.05 0.00 2.02 -1.09 -2.16 112.91 113.08 2a9h h THR 112 Ca 0.12 -0.07 -0.12 0.00 0.77 0.00 0.00 66.41 67.11 2a9h h THR 112 Cb 0.13 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2a9h h THR 112 CO -0.01 0.04 -0.50 -0.25 0.37 0.00 0.00 175.52 175.16 2a9h h TRP 113 N 0.21 0.17 -0.14 3.16 7.01 -1.35 -2.89 115.95 122.13 2a9h h TRP 113 Ca 0.07 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 2a9h h TRP 113 Cb 0.00 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 2a9h h TRP 113 CO -0.08 0.62 -0.03 0.74 -2.79 0.00 0.00 178.44 176.90 2a9h h PHE 114 N 0.11 0.20 -0.01 2.65 -1.00 0.31 -1.95 116.94 117.25 2a9h h PHE 114 Ca 0.00 -0.01 -0.15 0.00 2.81 0.00 0.00 57.97 60.62 2a9h h PHE 114 Cb 0.93 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.41 2a9h h PHE 114 CO 0.01 0.24 -0.70 0.28 -1.61 0.00 0.00 178.31 176.53 2a9h h VAL 115 N 0.20 1.48 -0.59 -0.55 2.07 -1.19 -3.32 116.25 114.35 2a9h h VAL 115 Ca 0.05 -2.33 -0.60 0.00 0.82 0.00 0.00 66.70 64.63 2a9h h VAL 115 Cb 0.18 2.25 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 2a9h h VAL 115 CO 0.01 0.67 2.19 0.61 0.02 0.00 0.00 177.57 181.07 2a9h n GLY 116 N 0.47 4.45 2.71 2.17 0.00 -0.73 -4.30 105.19 109.95 2a9h n GLY 116 Ca -0.01 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.21 2a9h n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a9h n ARG 117 N 2.32 0.69 0.13 1.61 1.74 -1.25 -4.99 116.66 116.91 2a9h n ARG 117 Ca 0.63 -1.48 0.03 0.00 -0.77 0.00 0.00 57.85 56.26 2a9h n ARG 117 Cb 0.38 -0.79 0.40 0.00 -1.02 0.00 0.00 32.46 31.43 2a9h n ARG 117 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 2a9h h GLU 118 N 2.91 0.20 -0.00 5.56 4.11 -1.88 -3.51 114.58 121.97 2a9h h GLU 118 Ca -0.18 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2a9h h GLU 118 Cb 1.13 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2a9h h GLU 118 CO 0.10 0.35 0.00 0.00 0.07 0.00 0.00 179.01 179.53