#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n24 h GLU 43 N 0.00 0.09 -0.72 3.69 5.08 -2.06 -3.27 114.58 117.38 3n24 h GLU 43 Ca 0.00 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3n24 h GLU 43 Cb 0.00 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 3n24 h GLU 43 CO 0.00 0.70 0.43 1.96 -1.00 0.00 0.00 179.01 181.10 3n24 h GLN 44 N -0.51 0.78 -0.09 2.33 4.20 -2.09 0.25 115.11 119.97 3n24 h GLN 44 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3n24 h GLN 44 Cb 0.71 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3n24 h GLN 44 CO 0.02 0.51 0.00 0.54 -0.67 0.00 0.00 178.83 179.23 3n24 n ARG 45 N -4.71 0.11 0.00 1.46 5.12 -1.23 -0.03 116.66 117.37 3n24 n ARG 45 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 3n24 n ARG 45 Cb 0.15 -1.05 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 3n24 n ARG 45 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3n24 n SER 47 N 0.31 0.00 0.02 0.55 2.88 0.89 -2.18 113.62 116.09 3n24 n SER 47 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3n24 n SER 47 Cb 0.02 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.47 3n24 n SER 47 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 3n24 h HIS 48 N 0.00 0.77 -0.60 0.66 6.17 -0.69 -2.66 115.15 118.79 3n24 h HIS 48 Ca 0.00 -0.33 -0.05 0.00 0.71 0.00 0.00 60.37 60.70 3n24 h HIS 48 Cb 0.00 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.78 3n24 h HIS 48 CO 0.00 1.12 0.19 0.45 0.71 0.00 0.00 177.93 180.40 3n24 h HIS 49 N 0.39 0.93 -0.65 5.26 3.86 -1.70 -2.15 115.15 121.09 3n24 h HIS 49 Ca -0.04 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 3n24 h HIS 49 Cb 1.33 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.49 3n24 h HIS 49 CO 0.06 0.75 0.29 1.88 0.86 0.00 0.00 177.93 181.77 3n24 h TYR 50 N 0.88 0.94 -0.42 2.45 0.05 -1.82 0.77 116.97 119.82 3n24 h TYR 50 Ca 0.20 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.97 3n24 h TYR 50 Cb 0.25 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.67 3n24 h TYR 50 CO 0.02 0.70 0.21 0.00 -1.05 0.00 0.00 178.16 178.03 3n24 h ALA 51 N 1.39 0.52 -0.10 3.88 0.00 -1.06 1.05 119.26 124.94 3n24 h ALA 51 Ca 0.23 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3n24 h ALA 51 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3n24 h ALA 51 CO -0.03 -0.15 -0.03 1.15 0.00 0.00 0.00 179.25 180.20 3n24 h THR 52 N 0.42 0.90 -0.25 0.00 2.02 -0.59 0.40 112.91 115.81 3n24 h THR 52 Ca 0.18 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 3n24 h THR 52 Cb 0.09 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3n24 h THR 52 CO -0.13 0.00 -0.10 -0.29 0.37 0.00 0.00 175.52 175.37 3n24 h ILE 53 N -0.00 1.21 -0.60 3.11 2.10 0.12 -1.56 117.51 121.88 3n24 h ILE 53 Ca 0.05 -0.89 -0.00 0.00 1.08 0.00 0.00 64.86 65.10 3n24 h ILE 53 Cb 0.07 1.12 -0.03 0.00 -1.09 0.00 0.00 36.82 36.90 3n24 h ILE 53 CO -0.10 0.29 0.38 -0.33 -1.08 0.00 0.00 178.15 177.30 3n24 h GLU 54 N 0.39 0.81 -0.15 2.19 5.08 0.19 0.26 114.58 123.35 3n24 h GLU 54 Ca 0.08 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3n24 h GLU 54 Cb 0.42 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3n24 h GLU 54 CO 0.02 0.57 -0.07 0.28 -1.00 0.00 0.00 179.01 178.81 3n24 h VAL 55 N 0.82 0.76 -0.74 3.13 2.07 -0.28 0.88 116.25 122.89 3n24 h VAL 55 Ca 0.22 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 3n24 h VAL 55 Cb -0.04 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3n24 h VAL 55 CO -0.04 0.00 0.31 0.77 0.02 0.00 0.00 177.57 178.62 3n24 h SER 56 N -0.06 1.01 -0.19 0.57 4.64 -0.84 0.53 113.55 119.21 3n24 h SER 56 Ca 0.08 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3n24 h SER 56 Cb 0.19 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3n24 h SER 56 CO -0.19 0.90 0.08 1.56 -0.87 0.00 0.00 176.83 178.32 3n24 h GLN 57 N 1.06 0.28 -0.48 4.77 4.20 -0.24 -0.45 115.11 124.25 3n24 h GLN 57 Ca 0.25 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 3n24 h GLN 57 Cb 0.20 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3n24 h GLN 57 CO -0.02 0.33 0.29 1.96 -0.67 0.00 0.00 178.83 180.72 3n24 h GLN 58 N 0.16 0.65 -0.46 1.46 4.20 -0.55 -1.78 115.11 118.78 3n24 h GLN 58 Ca 0.06 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3n24 h GLN 58 Cb 0.15 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3n24 h GLN 58 CO -0.01 0.47 0.29 -0.07 -0.67 0.00 0.00 178.83 178.84 3n24 h LEU 59 N 0.64 0.55 -1.06 1.46 3.38 -0.70 -0.15 115.31 119.43 3n24 h LEU 59 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3n24 h LEU 59 Cb -0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3n24 h LEU 59 CO -0.03 0.43 0.59 0.03 0.09 0.00 0.00 178.44 179.54 3n24 h ARG 60 N 0.62 1.22 -0.55 1.13 2.47 -0.87 0.35 114.38 118.75 3n24 h ARG 60 Ca 0.17 -0.09 -0.09 0.00 -1.26 0.00 0.00 59.98 58.71 3n24 h ARG 60 Cb -0.03 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.00 3n24 h ARG 60 CO -0.03 0.82 -0.02 1.96 0.56 0.00 0.00 179.97 183.26 3n24 h GLN 61 N 1.25 0.97 -0.07 0.04 4.20 -0.77 -0.54 115.11 120.19 3n24 h GLN 61 Ca 0.33 -0.30 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 3n24 h GLN 61 Cb -0.11 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3n24 h GLN 61 CO -0.07 0.97 -0.68 -0.07 -0.67 0.00 0.00 178.83 178.31 3n24 h LEU 62 N 0.88 0.38 -0.59 1.46 -0.00 -0.55 0.27 115.31 117.16 3n24 h LEU 62 Ca 0.16 -0.24 -0.14 0.00 -0.00 0.00 0.00 57.88 57.65 3n24 h LEU 62 Cb 0.55 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 3n24 h LEU 62 CO 0.03 0.95 -0.44 0.25 -0.00 0.00 0.00 178.44 179.23 3n24 h LEU 63 N 0.23 0.66 -0.88 1.67 5.85 -0.80 -0.40 115.31 121.64 3n24 h LEU 63 Ca -0.02 -0.31 -0.11 0.00 0.84 0.00 0.00 57.88 58.28 3n24 h LEU 63 Cb 1.23 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3n24 h LEU 63 CO 0.11 1.01 -0.32 1.23 -0.34 0.00 0.00 178.44 180.13 3n24 h GLY 64 N 1.02 0.48 1.39 3.75 0.00 -0.95 -1.91 103.07 106.84 3n24 h GLY 64 Ca 0.03 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 3n24 h GLY 64 CO 0.09 0.39 0.11 -0.55 0.00 0.00 0.00 176.54 176.57 3n24 h ASP 65 N 0.38 0.71 1.34 0.19 3.32 0.01 -0.08 116.42 122.30 3n24 h ASP 65 Ca 0.05 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3n24 h ASP 65 Cb 0.76 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3n24 h ASP 65 CO 0.06 0.71 -0.31 1.56 -1.72 0.00 0.00 179.24 179.54 3n24 h GLN 66 N 0.74 0.00 0.16 3.56 4.20 -0.86 -2.18 115.11 120.73 3n24 h GLN 66 Ca 0.16 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.64 3n24 h GLN 66 Cb 0.29 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.10 3n24 h GLN 66 CO 0.00 0.31 -1.06 -0.07 -0.67 0.00 0.00 178.83 177.33 3n24 h LEU 67 N 0.00 0.54 -0.40 1.46 -0.00 -0.74 -1.72 115.31 114.45 3n24 h LEU 67 Ca -0.00 -0.93 0.07 0.00 -0.00 0.00 0.00 57.88 57.02 3n24 h LEU 67 Cb 1.06 -0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 41.48 3n24 h LEU 67 CO 0.04 1.50 0.01 0.58 -0.00 0.00 0.00 178.44 180.57 3n24 h VAL 68 N -0.24 0.71 0.15 1.22 2.07 -1.05 -1.32 116.25 117.79 3n24 h VAL 68 Ca -0.19 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3n24 h VAL 68 Cb 1.79 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3n24 h VAL 68 CO 0.17 0.02 -0.17 0.40 0.02 0.00 0.00 177.57 178.01 3n24 h ILE 69 N 0.12 0.00 -0.66 4.57 2.04 -1.48 -3.04 117.51 119.06 3n24 h ILE 69 Ca 0.20 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.25 3n24 h ILE 69 Cb 0.28 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 3n24 h ILE 69 CO -0.32 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.38 3n24 h LEU 70 N -0.33 0.00 0.00 1.44 -0.00 -1.08 -0.43 115.31 114.92 3n24 h LEU 70 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 3n24 h LEU 70 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 3n24 h LEU 70 CO -0.03 0.00 -0.51 0.18 -0.00 0.00 0.00 178.44 178.07 3n24 n LEU 71 N -3.79 0.54 0.00 1.67 4.77 -0.52 -5.09 117.00 114.58 3n24 n LEU 71 Ca 0.13 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3n24 n LEU 71 Cb 0.86 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3n24 n LEU 71 CO 0.30 0.04 0.09 0.54 -1.33 0.00 0.00 177.39 177.04 3n24 n ARG 72 N -1.75 0.00 0.01 3.23 1.74 -0.17 -4.50 116.66 115.22 3n24 n ARG 72 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3n24 n ARG 72 Cb 0.38 -0.61 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 3n24 n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3n24 n GLY 77 N 1.13 -0.02 0.14 -0.13 0.00 -1.26 -4.99 105.19 100.05 3n24 n GLY 77 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3n24 n GLY 77 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3n24 h GLN 78 N 0.00 0.33 -0.72 1.61 1.08 -2.05 -2.40 115.11 112.95 3n24 h GLN 78 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3n24 h GLN 78 Cb 0.49 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.81 3n24 h GLN 78 CO 0.00 0.22 0.46 0.00 -0.95 0.00 0.00 178.83 178.56 3n24 h ALA 79 N 1.13 1.46 0.76 3.87 0.00 -2.04 -0.94 119.26 123.50 3n24 h ALA 79 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3n24 h ALA 79 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3n24 h ALA 79 CO -0.06 0.49 -0.39 1.25 0.00 0.00 0.00 179.25 180.55 3n24 h LEU 80 N 0.98 -0.93 -0.61 0.00 5.85 -1.89 -2.38 115.31 116.33 3n24 h LEU 80 Ca 0.26 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.07 3n24 h LEU 80 Cb -0.09 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3n24 h LEU 80 CO -0.05 -0.64 0.35 -0.33 -0.34 0.00 0.00 178.44 177.42 3n24 h GLU 81 N -1.05 0.65 -0.24 1.25 3.07 -1.11 0.85 114.58 118.00 3n24 h GLU 81 Ca -0.10 -0.04 0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3n24 h GLU 81 Cb 0.81 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 3n24 h GLU 81 CO 0.15 0.43 0.22 -0.09 -1.40 0.00 0.00 179.01 178.32 3n24 h ARG 82 N 0.66 0.00 0.13 2.33 2.43 -1.15 -0.29 114.38 118.50 3n24 h ARG 82 Ca 0.26 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.10 3n24 h ARG 82 Cb 0.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3n24 h ARG 82 CO -0.15 0.00 -1.71 1.03 -1.51 0.00 0.00 179.97 177.63 3n24 h SER 83 N 0.00 0.43 -0.33 -3.80 0.87 -0.52 -2.69 113.55 107.52 3n24 h SER 83 Ca 0.11 -0.70 -0.15 0.00 -1.23 0.00 0.00 61.79 59.83 3n24 h SER 83 Cb 0.54 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3n24 h SER 83 CO -0.00 1.60 -0.37 1.56 -0.53 0.00 0.00 176.83 179.08 3n24 h GLN 84 N 0.08 0.83 -0.13 2.24 4.20 -0.11 -0.53 115.11 121.68 3n24 h GLN 84 Ca -0.32 -0.45 -0.09 0.00 0.06 0.00 0.00 58.65 57.85 3n24 h GLN 84 Cb 2.05 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.84 3n24 h GLN 84 CO 0.15 1.09 -0.32 -0.91 -0.67 0.00 0.00 178.83 178.16 3n24 h ASN 85 N 0.61 0.26 -0.49 1.46 2.35 -1.23 -0.93 115.58 117.60 3n24 h ASN 85 Ca 0.05 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3n24 h ASN 85 Cb 0.96 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 3n24 h ASN 85 CO 0.09 0.57 0.33 0.44 -1.65 0.00 0.00 177.43 177.21 3n24 h ASP 86 N 0.22 0.57 0.06 5.81 3.32 -1.11 0.82 116.42 126.11 3n24 h ASP 86 Ca 0.03 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3n24 h ASP 86 Cb 0.68 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3n24 h ASP 86 CO 0.05 0.41 -0.03 0.15 -1.72 0.00 0.00 179.24 178.10 3n24 h PHE 87 N 0.67 -0.07 0.00 4.55 3.57 -0.61 0.36 116.94 125.41 3n24 h PHE 87 Ca 0.18 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3n24 h PHE 87 Cb -0.08 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3n24 h PHE 87 CO -0.04 0.25 -0.20 0.00 -2.23 0.00 0.00 178.31 176.09 3n24 h ARG 88 N -0.39 0.00 0.47 1.11 3.08 -1.21 0.71 114.38 118.15 3n24 h ARG 88 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3n24 h ARG 88 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3n24 h ARG 88 CO 0.01 0.20 -0.22 -0.09 -1.07 0.00 0.00 179.97 178.80 3n24 h ARG 89 N 0.00 -0.60 -0.85 0.04 2.43 -0.54 -2.27 114.38 112.58 3n24 h ARG 89 Ca -0.00 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.38 3n24 h ARG 89 Cb 0.39 0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 29.97 3n24 h ARG 89 CO 0.03 -0.37 0.41 0.28 -1.51 0.00 0.00 179.97 178.81 3n24 h VAL 90 N -1.13 0.65 -0.92 0.20 2.07 -0.88 -0.88 116.25 115.36 3n24 h VAL 90 Ca -0.06 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3n24 h VAL 90 Cb 0.51 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3n24 h VAL 90 CO 0.10 0.10 0.61 0.25 0.02 0.00 0.00 177.57 178.65 3n24 h LEU 91 N 0.54 1.06 -0.09 2.57 5.85 -0.89 -2.48 115.31 121.86 3n24 h LEU 91 Ca 0.49 -0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.93 3n24 h LEU 91 Cb 0.77 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.55 3n24 h LEU 91 CO -0.41 0.77 -0.94 -0.33 -0.34 0.00 0.00 178.44 177.18 3n24 h GLU 92 N 1.25 0.67 -0.47 1.25 4.39 -0.58 -2.42 114.58 118.67 3n24 h GLU 92 Ca 0.34 -0.66 0.03 0.00 0.34 0.00 0.00 59.36 59.41 3n24 h GLU 92 Cb -0.14 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3n24 h GLU 92 CO -0.07 1.25 0.25 1.96 -1.16 0.00 0.00 179.01 181.24 3n24 h GLN 93 N 0.40 0.48 -0.37 2.33 4.20 -1.22 0.36 115.11 121.29 3n24 h GLN 93 Ca -0.10 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.60 3n24 h GLN 93 Cb 1.58 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 29.23 3n24 h GLN 93 CO 0.18 0.32 0.22 0.78 -0.67 0.00 0.00 178.83 179.65 3n24 h GLY 94 N 0.49 0.51 0.45 3.46 0.00 -1.45 -1.30 103.07 105.23 3n24 h GLY 94 Ca 0.20 -0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.45 3n24 h GLY 94 CO -0.13 0.14 0.21 3.21 0.00 0.00 0.00 176.54 179.98 3n24 h ARG 95 N 0.44 0.38 0.00 4.80 3.08 -0.88 -1.59 114.38 120.62 3n24 h ARG 95 Ca 0.15 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 3n24 h ARG 95 Cb 0.00 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3n24 h ARG 95 CO -0.07 0.25 -0.12 0.00 -1.07 0.00 0.00 179.97 178.97 3n24 h ALA 96 N 1.38 1.01 -0.02 0.04 0.00 -0.27 -3.20 119.26 118.21 3n24 h ALA 96 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3n24 h ALA 96 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3n24 h ALA 96 CO -0.28 0.15 -0.21 -1.71 0.00 0.00 0.00 179.25 177.20 3n24 n ASN 97 N -3.26 2.14 -4.77 0.00 4.05 -0.55 -4.95 115.26 107.92 3n24 n ASN 97 Ca 0.01 -1.57 -0.38 0.00 0.45 0.00 0.00 54.58 53.08 3n24 n ASN 97 Cb 0.38 0.26 -0.06 0.00 1.23 0.00 0.00 39.78 41.59 3n24 n ASN 97 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 3n24 s THR 98 N -1.86 5.00 -0.21 -0.44 -4.23 -0.66 -4.95 115.64 108.28 3n24 s THR 98 Ca 0.18 1.08 0.14 0.00 -1.18 0.00 0.00 61.69 61.91 3n24 s THR 98 Cb 0.15 -3.85 -0.23 0.00 1.34 0.00 0.00 72.50 69.92 3n24 s THR 98 CO 0.36 0.44 0.00 0.55 -0.54 0.00 0.00 174.62 175.43 3n24 n VAL 99 N 2.72 1.38 -1.67 2.29 3.14 -1.26 -4.92 118.33 120.00 3n24 n VAL 99 Ca -0.09 -0.77 -0.42 0.00 -2.96 0.00 0.00 64.34 60.10 3n24 n VAL 99 Cb 0.51 -0.68 -0.03 0.00 -1.06 0.00 0.00 33.84 32.58 3n24 n VAL 99 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3n24 s ASP 100 N -5.66 6.45 0.41 6.55 3.68 -1.26 -4.86 116.67 121.98 3n24 s ASP 100 Ca -0.15 2.67 0.08 0.00 2.13 0.00 0.00 52.55 57.28 3n24 s ASP 100 Cb 0.07 -2.53 0.89 0.00 -1.45 0.00 0.00 42.92 39.89 3n24 s ASP 100 CO 0.76 -1.06 2.04 0.28 0.13 0.00 0.00 175.17 177.32 3n24 h SER 101 N 10.61 0.46 -0.19 -0.34 0.02 -2.00 -0.56 113.55 121.55 3n24 h SER 101 Ca -0.50 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.24 3n24 h SER 101 Cb 1.24 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.68 3n24 h SER 101 CO 0.94 0.32 -0.69 0.00 -1.14 0.00 0.00 176.83 176.26 3n24 h ALA 102 N 1.73 0.34 -0.41 3.77 0.00 -2.00 -2.73 119.26 119.96 3n24 h ALA 102 Ca 0.18 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3n24 h ALA 102 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3n24 h ALA 102 CO -0.04 0.66 -0.12 0.93 0.00 0.00 0.00 179.25 180.68 3n24 h GLU 103 N 0.56 0.74 -0.87 0.00 5.08 -1.65 -1.49 114.58 116.95 3n24 h GLU 103 Ca -0.03 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3n24 h GLU 103 Cb 1.32 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 3n24 h GLU 103 CO 0.15 0.83 0.53 1.96 -1.00 0.00 0.00 179.01 181.47 3n24 h GLN 104 N 0.67 0.91 -0.46 2.33 4.20 -1.17 -1.47 115.11 120.11 3n24 h GLN 104 Ca 0.11 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3n24 h GLN 104 Cb 0.58 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 3n24 h GLN 104 CO 0.04 0.60 -0.07 0.00 -0.67 0.00 0.00 178.83 178.72 3n24 h ALA 105 N 1.43 0.63 -0.59 3.87 0.00 -0.99 -1.59 119.26 122.02 3n24 h ALA 105 Ca 0.39 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3n24 h ALA 105 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3n24 h ALA 105 CO -0.20 0.50 0.32 0.00 0.00 0.00 0.00 179.25 179.87 3n24 h ALA 106 N 0.89 0.76 -0.34 0.00 0.00 -1.03 -0.82 119.26 118.71 3n24 h ALA 106 Ca 0.12 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3n24 h ALA 106 Cb 0.61 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3n24 h ALA 106 CO 0.04 0.27 -0.38 -0.07 0.00 0.00 0.00 179.25 179.11 3n24 h LEU 107 N 0.80 0.86 -1.19 0.00 3.38 -1.12 0.16 115.31 118.19 3n24 h LEU 107 Ca 0.21 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3n24 h LEU 107 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3n24 h LEU 107 CO -0.03 1.14 0.15 0.44 0.09 0.00 0.00 178.44 180.22 3n24 h ASP 108 N 0.66 0.65 -0.41 -0.43 5.19 -1.13 0.23 116.42 121.20 3n24 h ASP 108 Ca 0.06 -0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 56.33 3n24 h ASP 108 Cb 0.94 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 3n24 h ASP 108 CO 0.09 0.63 0.07 1.23 -3.12 0.00 0.00 179.24 178.14 3n24 h GLY 109 N 0.88 0.72 0.95 2.75 0.00 -0.64 0.26 103.07 107.98 3n24 h GLY 109 Ca 0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3n24 h GLY 109 CO -0.01 0.44 -0.06 -2.08 0.00 0.00 0.00 176.54 174.83 3n24 h VAL 110 N 0.52 0.90 -0.46 4.60 2.07 -0.51 -0.95 116.25 122.43 3n24 h VAL 110 Ca 0.12 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.62 3n24 h VAL 110 Cb 0.36 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 3n24 h VAL 110 CO 0.01 0.03 -0.16 -0.09 0.02 0.00 0.00 177.57 177.37 3n24 h ARG 111 N -0.24 -0.06 -0.07 1.57 2.43 -0.43 0.19 114.38 117.77 3n24 h ARG 111 Ca -0.02 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3n24 h ARG 111 Cb 0.19 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.70 3n24 h ARG 111 CO 0.03 -0.04 -0.20 -0.44 -1.51 0.00 0.00 179.97 177.81 3n24 h ASP 112 N -0.06 -0.59 -0.55 -3.80 5.19 -0.34 -2.84 116.42 113.43 3n24 h ASP 112 Ca 0.22 0.09 0.06 0.00 -0.62 0.00 0.00 57.03 56.78 3n24 h ASP 112 Cb 0.40 0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.12 3n24 h ASP 112 CO -0.50 -0.25 0.26 0.00 -3.12 0.00 0.00 179.24 175.63 3n24 h ALA 113 N 0.67 0.71 -0.55 3.45 0.00 -0.51 -2.97 119.26 120.07 3n24 h ALA 113 Ca 0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3n24 h ALA 113 Cb 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3n24 h ALA 113 CO -0.23 -0.10 0.13 -0.92 0.00 0.00 0.00 179.25 178.14 3n24 h TYR 114 N 0.50 0.86 0.00 0.00 3.20 -0.43 -1.70 116.97 119.41 3n24 h TYR 114 Ca 0.25 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 3n24 h TYR 114 Cb 0.19 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3n24 h TYR 114 CO -0.11 0.72 -0.61 -0.07 -1.64 0.00 0.00 178.16 176.44 3n24 h LEU 115 N 0.81 0.00 -1.10 2.82 3.38 -1.37 0.52 115.31 120.37 3n24 h LEU 115 Ca 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3n24 h LEU 115 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3n24 h LEU 115 CO -0.00 0.61 -0.20 -0.61 0.09 0.00 0.00 178.44 178.33 3n24 h GLN 116 N 0.00 0.00 -0.11 1.13 4.15 -1.28 -2.26 115.11 116.73 3n24 h GLN 116 Ca -0.01 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 3n24 h GLN 116 Cb 1.42 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.12 3n24 h GLN 116 CO 0.08 0.20 -0.46 1.25 -1.93 0.00 0.00 178.83 177.97 3n24 h LEU 117 N 0.00 0.59 -1.49 -2.39 7.12 -0.53 -3.18 115.31 115.43 3n24 h LEU 117 Ca -0.00 -0.63 0.00 0.00 0.13 0.00 0.00 57.88 57.38 3n24 h LEU 117 Cb 0.74 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 3n24 h LEU 117 CO 0.03 1.13 0.00 1.56 -0.13 0.00 0.00 178.44 181.02 3n24 h GLN 118 N 0.10 0.00 -0.14 1.25 4.20 -0.61 -2.21 115.11 117.70 3n24 h GLN 118 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3n24 h GLN 118 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3n24 h GLN 118 CO 0.10 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.26 3n24 n ALA 119 N -1.90 2.50 -3.55 3.87 0.00 -0.88 -5.08 120.51 115.46 3n24 n ALA 119 Ca -0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 53.44 52.70 3n24 n ALA 119 Cb 0.17 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3n24 n ALA 119 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3n24 n HIS 120 N 0.82 -0.22 -2.31 0.00 8.25 -0.84 -5.08 115.22 115.84 3n24 n HIS 120 Ca 0.17 -1.04 0.00 0.00 -0.26 0.00 0.00 57.72 56.59 3n24 n HIS 120 Cb 0.47 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3n24 n HIS 120 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3n24 n ASN 132 N -2.37 -1.74 0.11 0.41 0.23 -1.26 -4.99 115.26 105.65 3n24 n ASN 132 Ca 0.02 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.10 3n24 n ASN 132 Cb 0.23 -0.48 0.44 0.00 -2.08 0.00 0.00 39.78 37.88 3n24 n ASN 132 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 3n24 h ASP 133 N 0.00 0.26 -0.33 0.53 1.82 -1.95 -2.06 116.42 114.70 3n24 h ASP 133 Ca 0.00 -0.03 0.06 0.00 -0.39 0.00 0.00 57.03 56.67 3n24 h ASP 133 Cb 0.96 -0.07 -0.08 0.00 0.68 0.00 0.00 39.33 40.82 3n24 h ASP 133 CO 0.00 0.32 -0.39 1.23 -1.61 0.00 0.00 179.24 178.78 3n24 h GLY 134 N 0.57 -0.50 0.28 -0.78 0.00 -2.00 0.58 103.07 101.21 3n24 h GLY 134 Ca 0.07 0.50 0.18 0.00 0.00 0.00 0.00 47.33 48.07 3n24 h GLY 134 CO 0.00 -0.20 0.61 -2.75 0.00 0.00 0.00 176.54 174.20 3n24 h PHE 135 N -0.35 0.92 -0.17 5.60 3.57 -1.77 -2.62 116.94 122.12 3n24 h PHE 135 Ca 0.13 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 3n24 h PHE 135 Cb 0.58 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3n24 h PHE 135 CO -0.56 0.26 0.05 1.03 -2.23 0.00 0.00 178.31 176.86 3n24 h SER 136 N 0.71 0.25 1.78 0.41 0.87 -0.64 0.38 113.55 117.31 3n24 h SER 136 Ca 0.52 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3n24 h SER 136 Cb 0.88 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3n24 h SER 136 CO -0.29 0.40 0.00 1.05 -0.53 0.00 0.00 176.83 177.46 3n24 h GLU 137 N 0.08 0.00 0.00 2.24 9.09 -1.20 -1.42 114.58 123.38 3n24 h GLU 137 Ca 0.05 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.25 3n24 h GLU 137 Cb 0.25 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.31 3n24 h GLU 137 CO -0.00 0.00 -1.15 0.00 0.05 0.00 0.00 179.01 177.91 3n24 h ALA 138 N 2.11 0.53 -0.47 1.06 0.00 -1.37 -1.90 119.26 119.22 3n24 h ALA 138 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 54.91 53.86 3n24 h ALA 138 Cb 0.89 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3n24 h ALA 138 CO 0.00 1.23 0.04 0.35 0.00 0.00 0.00 179.25 180.86 3n24 h PHE 139 N 0.00 0.87 -0.11 0.00 3.57 -0.61 -2.00 116.94 118.66 3n24 h PHE 139 Ca -0.09 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.27 3n24 h PHE 139 Cb 1.77 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.27 3n24 h PHE 139 CO 0.00 0.82 0.05 -0.97 -2.23 0.00 0.00 178.31 175.99 3n24 h ASN 140 N 0.67 0.15 -0.77 0.41 -1.24 -1.28 -1.12 115.58 112.40 3n24 h ASN 140 Ca 0.14 -0.13 0.13 0.00 0.71 0.00 0.00 56.30 57.15 3n24 h ASN 140 Cb 0.45 -0.04 -0.09 0.00 0.73 0.00 0.00 38.32 39.38 3n24 h ASN 140 CO 0.02 0.23 0.36 1.23 -1.29 0.00 0.00 177.43 177.98 3n24 h GLY 141 N 0.06 1.19 0.99 1.57 0.00 -1.34 -2.56 103.07 102.98 3n24 h GLY 141 Ca 0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 47.01 3n24 h GLY 141 CO -0.00 -0.04 -0.53 -2.00 0.00 0.00 0.00 176.54 173.97 3n24 h LEU 142 N 0.54 0.76 -0.87 3.11 5.85 -0.95 -2.38 115.31 121.36 3n24 h LEU 142 Ca 0.41 -0.60 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 3n24 h LEU 142 Cb 0.56 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3n24 h LEU 142 CO -0.35 1.22 -0.52 0.08 -0.34 0.00 0.00 178.44 178.53 3n24 h ARG 143 N 0.33 0.11 -0.17 1.25 -0.00 -1.17 -1.26 114.38 113.47 3n24 h ARG 143 Ca -0.02 -0.06 0.01 0.00 -0.00 0.00 0.00 59.98 59.90 3n24 h ARG 143 Cb 1.15 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 31.12 3n24 h ARG 143 CO 0.11 0.61 0.09 -0.07 -0.00 0.00 0.00 179.97 180.71 3n24 h LEU 144 N 0.09 0.15 -1.18 0.08 3.38 -1.43 0.51 115.31 116.91 3n24 h LEU 144 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n24 h LEU 144 Cb 0.95 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 3n24 h LEU 144 CO 0.07 0.11 0.49 -0.09 0.09 0.00 0.00 178.44 179.12 3n24 h ARG 145 N 0.20 1.04 -0.37 1.13 9.65 -1.09 0.88 114.38 125.83 3n24 h ARG 145 Ca 0.07 -0.08 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 3n24 h ARG 145 Cb 0.00 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 3n24 h ARG 145 CO -0.04 0.71 -0.35 -0.07 2.80 0.00 0.00 179.97 183.03 3n24 h LEU 146 N 1.07 0.88 -0.43 3.80 3.38 -1.00 -2.22 115.31 120.80 3n24 h LEU 146 Ca 0.28 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3n24 h LEU 146 Cb -0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3n24 h LEU 146 CO -0.06 1.14 0.12 1.56 0.09 0.00 0.00 178.44 181.29 3n24 h GLN 147 N 0.70 0.68 -0.47 1.13 4.20 -0.22 -2.12 115.11 119.00 3n24 h GLN 147 Ca 0.07 -0.16 0.09 0.00 0.06 0.00 0.00 58.65 58.71 3n24 h GLN 147 Cb 0.91 -0.09 -0.10 0.00 0.30 0.00 0.00 27.48 28.50 3n24 h GLN 147 CO 0.08 0.68 -0.31 -0.44 -0.67 0.00 0.00 178.83 178.17 3n24 h ASP 148 N 0.56 -1.05 -0.36 1.46 5.19 -0.79 -0.98 116.42 120.45 3n24 h ASP 148 Ca 0.14 0.20 0.06 0.00 -0.62 0.00 0.00 57.03 56.80 3n24 h ASP 148 Cb 0.29 0.51 -0.05 0.00 0.18 0.00 0.00 39.33 40.26 3n24 h ASP 148 CO -0.00 -0.30 0.04 0.25 -3.12 0.00 0.00 179.24 176.11 3n24 h LEU 149 N -0.20 -0.05 -0.31 1.55 5.85 -1.01 0.46 115.31 121.60 3n24 h LEU 149 Ca 0.20 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3n24 h LEU 149 Cb 0.53 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3n24 h LEU 149 CO -0.58 0.01 0.14 1.56 -0.34 0.00 0.00 178.44 179.22 3n24 h GLN 150 N 0.15 0.45 -0.32 1.25 1.08 -1.16 -2.02 115.11 114.54 3n24 h GLN 150 Ca 0.17 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3n24 h GLN 150 Cb 0.21 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3n24 h GLN 150 CO -0.25 0.44 0.15 1.96 -0.95 0.00 0.00 178.83 180.17 3n24 h GLN 151 N 0.35 0.46 -0.90 1.46 4.20 -0.75 -1.57 115.11 118.36 3n24 h GLN 151 Ca 0.10 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.78 3n24 h GLN 151 Cb 0.15 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 3n24 h GLN 151 CO -0.01 0.44 0.59 -0.07 -0.67 0.00 0.00 178.83 179.11 3n24 h LEU 152 N 0.37 0.98 -0.40 1.46 3.38 -0.81 -0.77 115.31 119.52 3n24 h LEU 152 Ca 0.11 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 3n24 h LEU 152 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3n24 h LEU 152 CO -0.01 0.67 -0.36 0.00 0.09 0.00 0.00 178.44 178.83 3n24 h ALA 153 N 1.47 0.58 -0.02 1.53 0.00 -1.08 -1.30 119.26 120.44 3n24 h ALA 153 Ca 0.36 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3n24 h ALA 153 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3n24 h ALA 153 CO -0.11 0.68 0.02 -0.07 0.00 0.00 0.00 179.25 179.76 3n24 h LEU 154 N 0.78 0.03 -0.51 0.00 3.38 -0.83 -2.74 115.31 115.42 3n24 h LEU 154 Ca 0.07 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3n24 h LEU 154 Cb 0.96 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 3n24 h LEU 154 CO 0.09 0.05 0.19 0.00 0.09 0.00 0.00 178.44 178.86 3n24 h ALA 155 N 0.98 0.63 -0.98 1.53 0.00 -1.06 0.95 119.26 121.32 3n24 h ALA 155 Ca 0.01 0.06 0.32 0.00 0.00 0.00 0.00 54.91 55.30 3n24 h ALA 155 Cb 0.02 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 17.68 3n24 h ALA 155 CO -0.00 -0.20 0.46 0.78 0.00 0.00 0.00 179.25 180.29 3n24 h GLY 156 N 0.37 1.92 0.05 0.00 0.00 -0.92 -0.71 103.07 103.78 3n24 h GLY 156 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3n24 h GLY 156 CO -0.24 -0.55 -0.02 -2.22 0.00 0.00 0.00 176.54 173.51 3n24 h ILE 157 N 0.20 0.08 0.00 2.60 2.04 -1.26 -3.52 117.51 117.66 3n24 h ILE 157 Ca 0.72 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3n24 h ILE 157 Cb 1.67 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3n24 h ILE 157 CO -0.68 0.03 0.00 -0.24 0.00 0.00 0.00 178.15 177.26