#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3da7 s LYS 3 N 0.00 0.66 -0.24 1.97 2.47 -1.26 -0.56 119.74 122.77 3da7 s LYS 3 Ca 0.00 0.06 -0.11 0.00 -1.56 0.00 0.00 55.97 54.36 3da7 s LYS 3 Cb 0.00 -0.95 -0.05 0.00 -1.46 0.00 0.00 37.83 35.37 3da7 s LYS 3 CO 0.00 -0.26 0.18 0.00 0.16 0.00 0.00 175.35 175.43 3da7 s ALA 4 N 1.75 3.60 -0.14 3.13 0.00 0.11 -4.97 121.76 125.24 3da7 s ALA 4 Ca 0.02 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 3da7 s ALA 4 Cb -0.13 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 3da7 s ALA 4 CO -0.04 -0.26 -0.02 0.08 0.00 0.00 0.00 175.76 175.52 3da7 s VAL 5 N 1.18 4.09 -0.19 0.00 1.01 -1.26 -1.00 120.40 124.23 3da7 s VAL 5 Ca 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 3da7 s VAL 5 Cb -0.14 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.47 3da7 s VAL 5 CO 0.06 0.51 -0.16 -0.63 0.00 0.00 0.00 175.10 174.88 3da7 s ILE 6 N 0.08 2.37 -0.81 2.22 1.01 -0.12 -4.94 121.20 121.00 3da7 s ILE 6 Ca 0.01 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 3da7 s ILE 6 Cb -0.13 -2.03 0.12 0.00 0.01 0.00 0.00 42.46 40.43 3da7 s ILE 6 CO 0.02 0.49 1.00 0.20 0.00 0.00 0.00 174.94 176.66 3da7 s ASN 7 N 1.33 6.48 0.36 3.58 -0.87 -1.26 -0.17 114.94 124.39 3da7 s ASN 7 Ca 0.05 -1.78 0.12 0.00 -1.57 0.00 0.00 52.86 49.67 3da7 s ASN 7 Cb -0.14 -2.37 0.90 0.00 -0.02 0.00 0.00 41.25 39.62 3da7 s ASN 7 CO -0.11 -1.11 1.83 1.23 -2.57 0.00 0.00 177.10 176.37 3da7 h GLY 8 N 10.34 1.28 1.77 0.66 0.00 -0.60 -1.79 103.07 114.74 3da7 h GLY 8 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3da7 h GLY 8 CO 1.09 -0.00 0.00 -1.84 0.00 0.00 0.00 176.54 175.79 3da7 n GLU 9 N -4.61 0.14 0.00 4.80 0.00 -1.26 -2.33 120.64 117.39 3da7 n GLU 9 Ca 0.21 0.14 0.08 0.00 0.00 0.00 0.00 57.16 57.58 3da7 n GLU 9 Cb 0.61 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.50 3da7 n GLU 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3da7 n GLN 10 N -1.39 1.77 -2.07 3.44 3.00 -0.67 -4.95 117.38 116.51 3da7 n GLN 10 Ca 0.07 -0.39 -0.41 0.00 -0.01 0.00 0.00 57.00 56.25 3da7 n GLN 10 Cb 0.18 -1.26 -0.03 0.00 0.00 0.00 0.00 30.24 29.14 3da7 n GLN 10 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3da7 s ILE 11 N -2.21 2.86 -0.15 5.09 -1.09 -0.98 -4.93 121.20 119.79 3da7 s ILE 11 Ca 0.10 0.69 0.18 0.00 -2.23 0.00 0.00 60.65 59.39 3da7 s ILE 11 Cb 0.12 -3.44 -0.25 0.00 -1.58 0.00 0.00 42.46 37.31 3da7 s ILE 11 CO 0.53 0.10 0.28 0.54 -1.23 0.00 0.00 174.94 175.16 3da7 n ARG 12 N 2.76 0.67 -3.77 2.79 1.74 -1.26 -4.87 116.66 114.72 3da7 n ARG 12 Ca 0.08 0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.15 3da7 n ARG 12 Cb 0.41 -1.58 -0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3da7 n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3da7 s SER 13 N -5.42 -0.11 0.36 0.55 1.04 -1.20 -4.82 113.70 104.11 3da7 s SER 13 Ca -0.08 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 55.94 3da7 s SER 13 Cb 0.08 0.45 0.69 0.00 0.10 0.00 0.00 66.02 67.33 3da7 s SER 13 CO 0.84 -0.84 2.01 -0.29 0.98 0.00 0.00 173.24 175.94 3da7 h ILE 14 N 2.00 1.13 -0.47 -1.02 6.09 -1.80 -1.87 117.51 121.57 3da7 h ILE 14 Ca -0.26 -0.27 -0.12 0.00 -1.37 0.00 0.00 64.86 62.83 3da7 h ILE 14 Cb 1.22 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 3da7 h ILE 14 CO 0.29 0.15 -0.19 0.77 -3.07 0.00 0.00 178.15 176.09 3da7 h SER 15 N 0.80 0.95 0.03 2.19 4.64 -1.96 -2.31 113.55 117.91 3da7 h SER 15 Ca 0.24 -0.35 -0.07 0.00 -0.47 0.00 0.00 61.79 61.15 3da7 h SER 15 Cb -0.03 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 3da7 h SER 15 CO -0.06 1.12 -0.19 -0.78 -0.87 0.00 0.00 176.83 176.05 3da7 h ASP 16 N 0.82 0.28 -0.41 4.97 3.58 -1.83 -0.48 116.42 123.34 3da7 h ASP 16 Ca 0.11 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 3da7 h ASP 16 Cb 0.75 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 3da7 h ASP 16 CO 0.06 0.49 0.10 0.25 -2.88 0.00 0.00 179.24 177.26 3da7 h LEU 17 N 0.27 0.63 -1.33 2.28 5.85 -1.15 -1.94 115.31 119.91 3da7 h LEU 17 Ca 0.05 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 3da7 h LEU 17 Cb 0.49 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3da7 h LEU 17 CO 0.03 0.69 -0.18 0.45 -0.34 0.00 0.00 178.44 179.09 3da7 h HIS 18 N 0.53 0.23 0.00 1.25 3.86 -0.79 -1.27 115.15 118.97 3da7 h HIS 18 Ca 0.13 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.18 3da7 h HIS 18 Cb 0.31 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3da7 h HIS 18 CO 0.02 0.40 -0.61 1.96 0.86 0.00 0.00 177.93 180.56 3da7 h GLN 19 N 0.20 0.00 -0.12 2.45 4.20 -0.97 -1.16 115.11 119.71 3da7 h GLN 19 Ca 0.04 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3da7 h GLN 19 Cb 0.45 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 3da7 h GLN 19 CO 0.03 0.61 -0.10 1.15 -0.67 0.00 0.00 178.83 179.85 3da7 h THR 20 N 0.00 1.34 -0.25 -0.54 2.02 -0.84 -2.61 112.91 112.03 3da7 h THR 20 Ca -0.01 -1.22 0.04 0.00 0.77 0.00 0.00 66.41 66.00 3da7 h THR 20 Cb 1.27 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 69.52 3da7 h THR 20 CO 0.08 0.35 -0.02 -0.07 0.37 0.00 0.00 175.52 176.23 3da7 h LEU 21 N -0.10 -0.13 -0.80 2.58 3.38 -1.17 0.13 115.31 119.20 3da7 h LEU 21 Ca 0.02 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.16 3da7 h LEU 21 Cb 0.60 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 3da7 h LEU 21 CO 0.03 -0.04 0.42 0.50 0.09 0.00 0.00 178.44 179.44 3da7 h LYS 22 N 0.06 0.65 0.13 1.13 3.64 -1.20 0.17 116.57 121.15 3da7 h LYS 22 Ca 0.12 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3da7 h LYS 22 Cb 0.16 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3da7 h LYS 22 CO -0.22 0.43 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.11 3da7 h LYS 23 N 0.67 -0.16 -0.61 1.90 1.63 -1.17 0.23 116.57 119.06 3da7 h LYS 23 Ca 0.40 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.20 3da7 h LYS 23 Cb 0.46 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 3da7 h LYS 23 CO -0.29 0.28 0.30 0.93 -3.45 0.00 0.00 179.45 177.21 3da7 h GLU 24 N -0.69 0.85 -0.45 1.90 4.39 -0.32 -2.37 114.58 117.89 3da7 h GLU 24 Ca -0.02 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3da7 h GLU 24 Cb 0.52 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3da7 h GLU 24 CO 0.03 0.65 0.00 1.28 -1.16 0.00 0.00 179.01 179.81 3da7 n LEU 25 N -4.36 3.38 -3.90 1.33 4.77 0.57 -4.69 117.00 114.11 3da7 n LEU 25 Ca 0.06 -1.52 -0.30 0.00 -0.03 0.00 0.00 56.01 54.22 3da7 n LEU 25 Cb 0.12 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3da7 n LEU 25 CO 0.38 0.76 -0.19 0.00 -1.33 0.00 0.00 177.39 177.01 3da7 n ALA 26 N 1.41 -2.24 -1.78 -1.18 0.00 -0.71 -4.91 120.51 111.10 3da7 n ALA 26 Ca 0.20 -0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 3da7 n ALA 26 Cb 0.58 -2.39 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 3da7 n ALA 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3da7 s LEU 27 N -6.88 3.59 0.77 0.00 1.43 0.71 -5.01 118.68 113.29 3da7 s LEU 27 Ca 0.20 1.67 -0.15 0.00 -1.03 0.00 0.00 54.13 54.82 3da7 s LEU 27 Cb -0.08 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.63 3da7 s LEU 27 CO 0.89 -0.79 0.77 -2.65 0.23 0.00 0.00 176.35 174.80 3da7 n PRO 28 N -1.71 0.26 0.24 1.29 -0.02 -1.26 -4.88 135.00 128.92 3da7 n PRO 28 Ca 0.07 0.14 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 3da7 n PRO 28 Cb 0.54 -2.06 0.61 0.00 -0.02 0.00 0.00 33.50 32.56 3da7 n PRO 28 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3da7 h GLU 29 N -0.60 0.00 -0.08 -0.52 4.57 -1.98 -1.77 114.58 114.20 3da7 h GLU 29 Ca -0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3da7 h GLU 29 Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 3da7 h GLU 29 CO 0.43 0.13 0.00 2.48 -1.18 0.00 0.00 179.01 180.87 3da7 n TYR 30 N -4.16 0.10 -1.70 0.92 0.18 -1.26 -4.94 117.16 106.30 3da7 n TYR 30 Ca -0.02 -0.05 -0.65 0.00 1.88 0.00 0.00 57.90 59.06 3da7 n TYR 30 Cb 0.21 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.07 3da7 n TYR 30 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 3da7 n TYR 31 N -0.24 1.61 1.63 -3.48 9.36 -0.67 -4.82 117.16 120.55 3da7 n TYR 31 Ca 0.16 1.04 0.13 0.00 3.32 0.00 0.00 57.90 62.55 3da7 n TYR 31 Cb 0.20 -2.24 0.78 0.00 -0.63 0.00 0.00 39.34 37.45 3da7 n TYR 31 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3da7 n GLY 32 N 3.59 -0.88 3.95 2.98 0.00 -1.26 -4.91 105.19 108.65 3da7 n GLY 32 Ca 0.28 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3da7 n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3da7 n GLU 33 N -1.03 -3.65 -4.08 1.61 1.02 -1.26 -4.93 120.64 108.32 3da7 n GLU 33 Ca 0.19 0.44 -0.13 0.00 -0.02 0.00 0.00 57.16 57.65 3da7 n GLU 33 Cb 0.11 -4.74 -0.05 0.00 -0.02 0.00 0.00 31.44 26.73 3da7 n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3da7 s ASN 34 N -4.19 0.56 0.34 1.62 2.20 -1.26 -4.95 114.94 109.26 3da7 s ASN 34 Ca 0.12 -1.33 0.16 0.00 -0.94 0.00 0.00 52.86 50.87 3da7 s ASN 34 Cb -0.07 0.61 0.55 0.00 -2.00 0.00 0.00 41.25 40.34 3da7 s ASN 34 CO 0.88 -1.20 1.68 -0.07 -2.94 0.00 0.00 177.10 175.46 3da7 h LEU 35 N 2.21 0.00 -0.15 3.54 3.38 -1.97 -0.68 115.31 121.64 3da7 h LEU 35 Ca -0.29 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.46 3da7 h LEU 35 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3da7 h LEU 35 CO 0.40 0.46 -0.97 0.44 0.09 0.00 0.00 178.44 178.86 3da7 h ASP 36 N 0.00 0.47 -0.37 -0.43 3.32 -1.98 -2.10 116.42 115.32 3da7 h ASP 36 Ca -0.00 -0.39 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 3da7 h ASP 36 Cb 0.98 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 3da7 h ASP 36 CO 0.06 1.20 -0.10 0.00 -1.72 0.00 0.00 179.24 178.69 3da7 h ALA 37 N 0.76 0.52 -0.21 3.45 0.00 -1.84 -1.85 119.26 120.09 3da7 h ALA 37 Ca -0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3da7 h ALA 37 Cb 1.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3da7 h ALA 37 CO 0.16 0.38 0.12 1.25 0.00 0.00 0.00 179.25 181.16 3da7 h LEU 38 N 0.53 0.26 -0.62 0.00 5.85 -1.15 -1.45 115.31 118.73 3da7 h LEU 38 Ca 0.09 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3da7 h LEU 38 Cb 0.61 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3da7 h LEU 38 CO 0.04 0.26 0.35 -0.25 -0.34 0.00 0.00 178.44 178.50 3da7 h TRP 39 N 0.24 0.65 -0.99 1.25 2.91 -1.37 -0.72 115.95 117.92 3da7 h TRP 39 Ca 0.08 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.21 3da7 h TRP 39 Cb 0.05 -0.20 -0.08 0.00 -0.51 0.00 0.00 29.16 28.42 3da7 h TRP 39 CO -0.04 0.34 0.63 0.22 -1.03 0.00 0.00 178.44 178.56 3da7 h ASP 40 N 0.67 0.97 -0.10 2.65 3.58 -0.92 -1.73 116.42 121.55 3da7 h ASP 40 Ca 0.27 0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.58 3da7 h ASP 40 Cb 0.11 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.00 3da7 h ASP 40 CO -0.15 0.58 -0.58 0.00 -2.88 0.00 0.00 179.24 176.21 3da7 h LEU 42 N 0.20 0.05 0.00 0.00 3.38 -0.95 0.68 115.31 118.67 3da7 h LEU 42 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3da7 h LEU 42 Cb 1.23 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3da7 h LEU 42 CO 0.12 0.23 -0.79 1.07 0.09 0.00 0.00 178.44 179.16 3da7 n THR 43 N -4.31 0.00 0.00 0.22 5.66 -0.67 -4.36 114.28 110.83 3da7 n THR 43 Ca -0.02 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 3da7 n THR 43 Cb 0.25 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 70.00 3da7 n THR 43 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3da7 n GLY 44 N 1.38 0.64 0.77 1.09 0.00 0.05 -4.97 105.19 104.15 3da7 n GLY 44 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 3da7 n GLY 44 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3da7 n TRP 45 N -0.29 0.00 -2.26 1.61 -0.00 0.21 -4.97 117.44 111.74 3da7 n TRP 45 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.09 3da7 n TRP 45 Cb 0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 31.31 31.22 3da7 n TRP 45 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3da7 s VAL 46 N -2.03 3.30 0.13 5.87 1.01 0.44 -5.01 120.40 124.10 3da7 s VAL 46 Ca -0.02 1.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.89 3da7 s VAL 46 Cb 0.01 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3da7 s VAL 46 CO 0.03 0.17 0.55 -1.61 0.00 0.00 0.00 175.10 174.23 3da7 s GLU 47 N -0.21 4.02 0.29 2.72 2.02 -1.26 -4.88 118.70 121.39 3da7 s GLU 47 Ca 0.55 0.53 0.10 0.00 0.02 0.00 0.00 54.97 56.18 3da7 s GLU 47 Cb -0.35 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 3da7 s GLU 47 CO 0.38 0.52 -0.08 0.71 0.02 0.00 0.00 175.26 176.81 3da7 s TYR 48 N -1.38 2.50 0.74 1.61 2.02 -1.26 -4.59 117.35 116.99 3da7 s TYR 48 Ca 0.36 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.63 3da7 s TYR 48 Cb -0.16 -1.16 0.04 0.00 -0.40 0.00 0.00 41.96 40.28 3da7 s TYR 48 CO 0.19 0.64 1.10 -2.14 -1.57 0.00 0.00 175.55 173.76 3da7 s PRO 49 N -3.61 2.39 -0.03 -1.71 0.02 -1.26 -5.04 135.00 125.76 3da7 s PRO 49 Ca 0.31 1.24 -0.00 0.00 0.02 0.00 0.00 61.00 62.57 3da7 s PRO 49 Cb -0.05 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.59 3da7 s PRO 49 CO 0.18 -1.55 0.03 -1.17 -0.33 0.00 0.00 177.00 174.16 3da7 s LEU 50 N -5.62 0.94 -0.27 -5.54 2.96 -0.28 -3.62 118.68 107.24 3da7 s LEU 50 Ca 0.63 0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 54.47 3da7 s LEU 50 Cb -0.18 -0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.35 3da7 s LEU 50 CO 0.52 -0.14 0.16 -0.69 -1.32 0.00 0.00 176.35 174.87 3da7 s VAL 51 N 1.25 5.07 -0.48 1.68 1.01 0.27 -1.00 120.40 128.21 3da7 s VAL 51 Ca -0.07 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 3da7 s VAL 51 Cb -0.13 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 32.92 3da7 s VAL 51 CO -0.03 0.28 0.42 -0.22 0.00 0.00 0.00 175.10 175.54 3da7 s LEU 52 N 1.68 5.57 -0.58 3.92 2.96 0.49 -0.71 118.68 132.01 3da7 s LEU 52 Ca 0.07 -1.29 -0.17 0.00 -0.22 0.00 0.00 54.13 52.52 3da7 s LEU 52 Cb -0.16 -2.21 0.12 0.00 0.50 0.00 0.00 46.19 44.45 3da7 s LEU 52 CO 0.09 -0.67 0.60 -0.70 -1.32 0.00 0.00 176.35 174.35 3da7 s GLU 53 N 1.73 3.04 -0.80 1.98 2.12 -0.17 0.01 118.70 126.62 3da7 s GLU 53 Ca 0.05 -1.58 -0.15 0.00 0.36 0.00 0.00 54.97 53.64 3da7 s GLU 53 Cb -0.24 -4.30 0.19 0.00 0.26 0.00 0.00 34.13 30.04 3da7 s GLU 53 CO 0.07 -1.42 0.79 -0.46 -0.54 0.00 0.00 175.26 173.70 3da7 s TRP 54 N 2.00 3.55 0.40 5.30 -0.11 0.15 -0.95 118.94 129.29 3da7 s TRP 54 Ca 0.07 -1.75 -0.23 0.00 1.22 0.00 0.00 56.10 55.41 3da7 s TRP 54 Cb -0.27 -3.90 -0.10 0.00 -1.50 0.00 0.00 33.47 27.71 3da7 s TRP 54 CO 0.04 -1.09 1.00 1.03 -4.62 0.00 0.00 176.95 173.31 3da7 s ARG 55 N 0.89 4.22 -1.24 5.86 0.52 0.77 -0.01 118.95 129.96 3da7 s ARG 55 Ca 0.18 1.36 -0.30 0.00 -0.52 0.00 0.00 55.73 56.45 3da7 s ARG 55 Cb -0.12 -2.45 0.04 0.00 0.52 0.00 0.00 34.95 32.93 3da7 s ARG 55 CO -0.07 -0.07 0.64 0.00 0.02 0.00 0.00 175.30 175.83 3da7 n GLN 56 N -0.19 -0.45 -0.14 3.54 0.00 -0.01 0.02 117.38 120.14 3da7 n GLN 56 Ca 0.05 0.12 -0.06 0.00 0.00 0.00 0.00 57.00 57.11 3da7 n GLN 56 Cb 0.51 -2.81 0.02 0.00 0.00 0.00 0.00 30.24 27.96 3da7 n GLN 56 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 3da7 h PHE 57 N -2.49 0.49 -0.15 2.61 3.57 -1.74 -2.14 116.94 117.08 3da7 h PHE 57 Ca -0.71 0.02 0.03 0.00 3.53 0.00 0.00 57.97 60.84 3da7 h PHE 57 Cb 1.40 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 3da7 h PHE 57 CO 0.38 0.28 -0.02 0.93 -2.23 0.00 0.00 178.31 177.65 3da7 h GLU 58 N 0.53 0.03 -0.73 1.11 4.39 -1.92 -1.34 114.58 116.64 3da7 h GLU 58 Ca 0.18 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3da7 h GLU 58 Cb 0.02 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 3da7 h GLU 58 CO -0.08 0.02 0.42 1.96 -1.16 0.00 0.00 179.01 180.16 3da7 h GLN 59 N 0.03 0.99 0.00 2.33 4.20 -1.89 -2.15 115.11 118.61 3da7 h GLN 59 Ca 0.07 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3da7 h GLN 59 Cb 0.10 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 3da7 h GLN 59 CO -0.14 0.71 -0.14 0.66 -0.67 0.00 0.00 178.83 179.26 3da7 h SER 60 N 1.01 0.00 -0.18 1.46 4.64 -0.58 -0.31 113.55 119.58 3da7 h SER 60 Ca 0.26 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.52 3da7 h SER 60 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3da7 h SER 60 CO -0.05 0.14 -0.12 0.11 -0.87 0.00 0.00 176.83 176.04 3da7 h LYS 61 N 0.00 0.41 -0.94 4.77 1.57 -0.73 -2.66 116.57 118.99 3da7 h LYS 61 Ca -0.00 -0.19 0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3da7 h LYS 61 Cb 0.35 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 3da7 h LYS 61 CO 0.02 0.73 0.61 1.96 -0.57 0.00 0.00 179.45 182.20 3da7 h GLN 62 N 0.08 1.04 0.00 3.15 4.20 -1.20 -0.95 115.11 121.42 3da7 h GLN 62 Ca 0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3da7 h GLN 62 Cb 0.63 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3da7 h GLN 62 CO 0.03 0.69 0.00 1.28 -0.67 0.00 0.00 178.83 180.16 3da7 n LEU 63 N -4.50 0.00 -0.31 1.46 4.32 -0.21 -3.35 117.00 114.41 3da7 n LEU 63 Ca 0.14 0.28 0.05 0.00 -0.02 0.00 0.00 56.01 56.46 3da7 n LEU 63 Cb 0.20 -0.28 0.06 0.00 -1.62 0.00 0.00 43.42 41.79 3da7 n LEU 63 CO 0.32 -0.03 0.39 0.35 -1.22 0.00 0.00 177.39 177.21 3da7 n THR 64 N -1.28 0.86 -3.77 -5.08 -2.24 -0.98 -3.25 114.28 98.54 3da7 n THR 64 Ca 0.13 -1.04 -0.28 0.00 -2.27 0.00 0.00 64.05 60.60 3da7 n THR 64 Cb 0.22 0.17 0.05 0.00 -2.10 0.00 0.00 70.33 68.66 3da7 n THR 64 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3da7 n GLU 65 N -0.65 -6.46 -0.94 -0.78 0.00 -1.03 0.23 120.64 111.01 3da7 n GLU 65 Ca 0.07 0.69 0.00 0.00 0.00 0.00 0.00 57.16 57.93 3da7 n GLU 65 Cb 0.67 -5.65 0.00 0.00 0.00 0.00 0.00 31.44 26.46 3da7 n GLU 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3da7 n ASN 66 N -2.89 -3.06 -0.32 -1.84 2.85 -0.40 -4.93 115.26 104.67 3da7 n ASN 66 Ca 0.03 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.46 3da7 n ASN 66 Cb 0.54 -1.53 0.09 0.00 1.24 0.00 0.00 39.78 40.12 3da7 n ASN 66 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3da7 h GLY 67 N 0.00 1.33 -0.11 8.20 0.00 -0.43 -3.21 103.07 108.85 3da7 h GLY 67 Ca 0.00 -0.62 0.26 0.00 0.00 0.00 0.00 47.33 46.97 3da7 h GLY 67 CO 0.00 0.59 0.65 0.00 0.00 0.00 0.00 176.54 177.78 3da7 h ALA 68 N 1.27 2.12 -0.70 3.60 0.00 -1.80 -2.00 119.26 121.75 3da7 h ALA 68 Ca 0.31 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3da7 h ALA 68 Cb 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3da7 h ALA 68 CO -0.05 -0.53 0.17 1.49 0.00 0.00 0.00 179.25 180.33 3da7 h GLU 69 N 0.45 1.11 -0.04 0.00 4.57 -1.93 -0.04 114.58 118.69 3da7 h GLU 69 Ca 0.60 -0.26 -0.19 0.00 -1.18 0.00 0.00 59.36 58.32 3da7 h GLU 69 Cb 1.41 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 3da7 h GLU 69 CO -0.33 0.98 -0.79 0.66 -1.18 0.00 0.00 179.01 178.35 3da7 h SER 70 N 1.05 0.41 -0.42 1.04 4.64 -1.54 -1.04 113.55 117.69 3da7 h SER 70 Ca 0.22 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 3da7 h SER 70 Cb 0.37 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3da7 h SER 70 CO 0.00 1.04 0.05 0.58 -0.87 0.00 0.00 176.83 177.63 3da7 h VAL 71 N 0.21 1.25 -0.56 0.95 2.07 -1.23 -2.55 116.25 116.39 3da7 h VAL 71 Ca -0.04 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.61 3da7 h VAL 71 Cb 1.38 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 3da7 h VAL 71 CO 0.13 0.32 0.27 0.25 0.02 0.00 0.00 177.57 178.56 3da7 h LEU 72 N 0.56 0.37 -1.45 2.57 5.85 -0.90 -2.61 115.31 119.70 3da7 h LEU 72 Ca 0.13 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3da7 h LEU 72 Cb 0.41 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3da7 h LEU 72 CO 0.01 0.24 0.41 -0.61 -0.34 0.00 0.00 178.44 178.15 3da7 h GLN 73 N 0.51 0.69 -0.12 1.25 5.75 -0.97 -0.51 115.11 121.70 3da7 h GLN 73 Ca 0.26 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 3da7 h GLN 73 Cb 0.20 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3da7 h GLN 73 CO -0.20 0.46 0.07 0.28 -2.65 0.00 0.00 178.83 176.79 3da7 h VAL 74 N 0.71 1.09 -0.58 2.39 2.07 -1.08 0.26 116.25 121.11 3da7 h VAL 74 Ca 0.25 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3da7 h VAL 74 Cb 0.11 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3da7 h VAL 74 CO -0.07 0.08 0.32 -0.26 0.02 0.00 0.00 177.57 177.67 3da7 h PHE 75 N 0.10 0.77 -0.31 1.57 0.04 -1.21 -0.34 116.94 117.56 3da7 h PHE 75 Ca 0.04 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 3da7 h PHE 75 Cb 0.07 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.96 3da7 h PHE 75 CO -0.04 0.53 -0.26 0.00 -0.60 0.00 0.00 178.31 177.94 3da7 h ARG 76 N 0.80 0.61 0.00 1.51 2.47 -0.76 -1.41 114.38 117.61 3da7 h ARG 76 Ca 0.21 -0.25 -0.19 0.00 -1.26 0.00 0.00 59.98 58.49 3da7 h ARG 76 Cb 0.01 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3da7 h ARG 76 CO -0.04 0.81 -0.86 0.93 0.56 0.00 0.00 179.97 181.38 3da7 h GLU 77 N 0.54 0.10 -0.11 0.04 5.08 -0.45 -1.74 114.58 118.03 3da7 h GLU 77 Ca 0.07 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3da7 h GLU 77 Cb 0.72 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 3da7 h GLU 77 CO 0.06 0.89 0.01 0.00 -1.00 0.00 0.00 179.01 178.97 3da7 h ALA 78 N 1.07 0.15 -0.44 3.43 0.00 -0.93 -1.46 119.26 121.07 3da7 h ALA 78 Ca -0.03 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.80 3da7 h ALA 78 Cb 1.49 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 3da7 h ALA 78 CO 0.12 -0.19 0.05 -0.22 0.00 0.00 0.00 179.25 179.01 3da7 h LYS 79 N -0.05 0.17 -0.36 0.00 3.64 -1.25 -1.76 116.57 116.96 3da7 h LYS 79 Ca 0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3da7 h LYS 79 Cb 0.30 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3da7 h LYS 79 CO 0.00 0.11 0.14 0.00 -2.27 0.00 0.00 179.45 177.43 3da7 h ALA 80 N 1.36 1.57 0.00 5.00 0.00 -1.11 -0.80 119.26 125.28 3da7 h ALA 80 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3da7 h ALA 80 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3da7 h ALA 80 CO -0.32 0.34 0.00 0.39 0.00 0.00 0.00 179.25 179.66 3da7 n GLU 81 N -4.39 0.13 0.00 0.00 1.02 -0.57 -4.88 120.64 111.96 3da7 n GLU 81 Ca 0.02 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3da7 n GLU 81 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3da7 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3da7 n GLY 82 N 0.82 1.35 3.69 0.62 0.00 -0.31 -5.09 105.19 106.28 3da7 n GLY 82 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3da7 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3da7 s ASP 84 N 1.43 5.24 -0.16 0.00 2.15 -1.26 -4.28 116.67 119.78 3da7 s ASP 84 Ca 0.57 -1.69 0.01 0.00 0.43 0.00 0.00 52.55 51.88 3da7 s ASP 84 Cb -0.26 -2.59 0.01 0.00 -0.30 0.00 0.00 42.92 39.78 3da7 s ASP 84 CO 0.24 -2.85 -0.19 -0.63 -0.17 0.00 0.00 175.17 171.57 3da7 s ILE 85 N 10.21 2.24 -0.27 4.11 1.01 -1.26 -1.13 121.20 136.11 3da7 s ILE 85 Ca 0.67 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 3da7 s ILE 85 Cb -0.01 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3da7 s ILE 85 CO 0.12 0.53 0.31 -0.89 0.00 0.00 0.00 174.94 175.01 3da7 s THR 86 N 1.02 5.22 -0.23 2.92 2.01 -0.17 -4.95 115.64 121.46 3da7 s THR 86 Ca -0.02 0.44 -0.09 0.00 0.31 0.00 0.00 61.69 62.33 3da7 s THR 86 Cb -0.15 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3da7 s THR 86 CO -0.06 0.19 0.11 -0.63 -0.69 0.00 0.00 174.62 173.54 3da7 s ILE 87 N 1.97 4.90 -0.32 1.82 1.01 -1.26 -0.38 121.20 128.94 3da7 s ILE 87 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 3da7 s ILE 87 Cb -0.16 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 39.08 3da7 s ILE 87 CO 0.10 0.36 0.06 -0.63 0.00 0.00 0.00 174.94 174.83 3da7 s ILE 88 N 1.10 3.42 -0.55 2.92 1.01 0.10 -4.98 121.20 124.24 3da7 s ILE 88 Ca 0.06 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.29 3da7 s ILE 88 Cb -0.14 -2.95 0.10 0.00 0.01 0.00 0.00 42.46 39.48 3da7 s ILE 88 CO 0.04 -0.14 0.58 -0.76 0.00 0.00 0.00 174.94 174.66 3da7 s LEU 89 N 1.34 5.62 0.00 2.97 1.43 -1.26 0.32 118.68 129.09 3da7 s LEU 89 Ca -0.03 -1.45 0.09 0.00 -1.03 0.00 0.00 54.13 51.70 3da7 s LEU 89 Cb -0.20 -2.28 0.07 0.00 0.03 0.00 0.00 46.19 43.82 3da7 s LEU 89 CO 0.01 -0.93 0.78 -0.24 0.23 0.00 0.00 176.35 176.20