#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6j s THR 2 N 0.00 3.37 0.00 2.03 2.01 -1.26 -5.01 115.64 116.78 1a6j s THR 2 Ca 0.00 -1.60 0.00 0.00 0.31 0.00 0.00 61.69 60.40 1a6j s THR 2 Cb 0.00 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 69.83 1a6j s THR 2 CO 0.00 -0.12 0.00 0.59 -0.69 0.00 0.00 174.62 174.40 1a6j n ASN 3 N -0.06 3.20 -3.96 3.53 5.03 -1.26 -5.11 115.26 116.63 1a6j n ASN 3 Ca -0.10 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.25 1a6j n ASN 3 Cb 0.56 0.63 -0.07 0.00 -1.02 0.00 0.00 39.78 39.88 1a6j n ASN 3 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1a6j s ASN 4 N -1.30 0.06 0.24 6.41 2.20 -1.26 -5.05 114.94 116.25 1a6j s ASN 4 Ca 0.00 -0.87 -0.05 0.00 -0.94 0.00 0.00 52.86 51.00 1a6j s ASN 4 Cb 0.00 0.42 0.36 0.00 -2.00 0.00 0.00 41.25 40.03 1a6j s ASN 4 CO 0.00 -0.87 1.82 0.44 -2.94 0.00 0.00 177.10 175.55 1a6j h ASP 5 N 2.58 0.69 -0.51 3.54 5.19 -2.00 -2.76 116.42 123.15 1a6j h ASP 5 Ca -0.32 0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.06 1a6j h ASP 5 Cb 1.22 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 1a6j h ASP 5 CO 0.50 0.41 0.07 0.74 -3.12 0.00 0.00 179.24 177.84 1a6j h THR 6 N 0.81 1.25 -0.68 0.35 2.02 -1.96 -0.25 112.91 114.45 1a6j h THR 6 Ca 0.38 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1a6j h THR 6 Cb 0.30 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1a6j h THR 6 CO -0.22 0.34 0.39 0.74 0.37 0.00 0.00 175.52 177.13 1a6j h THR 7 N 0.73 1.21 -0.04 3.16 2.02 -1.75 -1.03 112.91 117.21 1a6j h THR 7 Ca 0.15 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1a6j h THR 7 Cb 0.42 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1a6j h THR 7 CO 0.01 0.22 -0.01 0.25 0.37 0.00 0.00 175.52 176.37 1a6j h LEU 8 N 0.93 0.07 -1.34 2.58 5.85 -1.35 -1.57 115.31 120.48 1a6j h LEU 8 Ca 0.24 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1a6j h LEU 8 Cb 0.02 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1a6j h LEU 8 CO -0.04 0.41 0.41 -0.61 -0.34 0.00 0.00 178.44 178.26 1a6j h GLN 9 N -0.26 0.85 -0.32 1.25 5.75 -0.91 -1.89 115.11 119.59 1a6j h GLN 9 Ca 0.01 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 1a6j h GLN 9 Cb 0.37 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1a6j h GLN 9 CO 0.00 0.58 -0.27 -0.07 -2.65 0.00 0.00 178.83 176.42 1a6j h LEU 10 N 0.87 0.79 0.00 -2.39 3.38 -1.13 -2.53 115.31 114.31 1a6j h LEU 10 Ca 0.23 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1a6j h LEU 10 Cb -0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1a6j h LEU 10 CO -0.05 1.08 0.04 -1.54 0.09 0.00 0.00 178.44 178.07 1a6j n SER 11 N -4.24 0.00 -0.06 -0.43 3.41 -0.60 -0.25 113.62 111.45 1a6j n SER 11 Ca -0.03 0.33 -0.02 0.00 -0.26 0.00 0.00 58.87 58.89 1a6j n SER 11 Cb 0.47 -0.33 -0.16 0.00 -0.26 0.00 0.00 64.21 63.94 1a6j n SER 11 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1a6j n SER 12 N -1.31 0.24 -0.01 4.04 2.88 -0.96 -4.69 113.62 113.82 1a6j n SER 12 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1a6j n SER 12 Cb 0.04 1.37 -0.03 0.00 -0.75 0.00 0.00 64.21 64.84 1a6j n SER 12 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1a6j n VAL 13 N -2.52 0.06 -4.39 2.46 0.24 0.04 -4.94 118.33 109.28 1a6j n VAL 13 Ca -0.20 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.34 61.65 1a6j n VAL 13 Cb 0.89 0.07 -0.10 0.00 -1.47 0.00 0.00 33.84 33.23 1a6j n VAL 13 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1a6j s LEU 14 N -3.51 3.47 0.21 1.34 2.96 0.65 -1.44 118.68 122.36 1a6j s LEU 14 Ca -0.01 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 1a6j s LEU 14 Cb 0.02 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1a6j s LEU 14 CO 0.15 0.32 -0.05 0.54 -1.32 0.00 0.00 176.35 175.99 1a6j s ASN 15 N -0.54 1.97 0.28 3.68 2.20 -1.26 -4.64 114.94 116.63 1a6j s ASN 15 Ca 0.09 -1.14 -0.02 0.00 -0.94 0.00 0.00 52.86 50.84 1a6j s ASN 15 Cb -0.12 -0.02 0.42 0.00 -2.00 0.00 0.00 41.25 39.53 1a6j s ASN 15 CO 0.02 -0.42 1.93 0.03 -2.94 0.00 0.00 177.10 175.72 1a6j h ARG 16 N 2.54 1.13 -0.50 3.55 3.08 -1.98 -2.24 114.38 119.97 1a6j h ARG 16 Ca -0.38 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 59.63 1a6j h ARG 16 Cb 1.21 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1a6j h ARG 16 CO 0.64 0.74 0.33 1.49 -1.07 0.00 0.00 179.97 182.11 1a6j h GLU 17 N 1.16 0.57 -0.61 0.04 4.81 -1.99 -0.06 114.58 118.50 1a6j h GLU 17 Ca 0.37 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1a6j h GLU 17 Cb 0.02 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1a6j h GLU 17 CO -0.11 0.38 0.00 0.00 -0.73 0.00 0.00 179.01 178.54 1a6j s THR 19 N -1.39 3.08 0.01 0.00 2.01 -0.04 -1.50 115.64 117.82 1a6j s THR 19 Ca 0.40 -1.57 0.07 0.00 0.31 0.00 0.00 61.69 60.91 1a6j s THR 19 Cb 0.23 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1a6j s THR 19 CO 0.25 -0.27 -0.23 -0.60 -0.69 0.00 0.00 174.62 173.08 1a6j s ARG 20 N 1.22 1.70 0.35 4.92 3.52 -0.59 -4.77 118.95 125.30 1a6j s ARG 20 Ca -0.01 -0.88 0.09 0.00 -0.13 0.00 0.00 55.73 54.80 1a6j s ARG 20 Cb -0.20 -1.72 -0.07 0.00 -1.56 0.00 0.00 34.95 31.40 1a6j s ARG 20 CO -0.02 0.46 -0.06 -1.54 -0.81 0.00 0.00 175.30 173.33 1a6j s SER 21 N -0.81 3.82 -1.58 -2.12 1.04 -1.26 -1.30 113.70 111.50 1a6j s SER 21 Ca 0.09 -1.19 -0.09 0.00 0.48 0.00 0.00 55.95 55.24 1a6j s SER 21 Cb -0.09 -0.38 0.08 0.00 0.10 0.00 0.00 66.02 65.73 1a6j s SER 21 CO 0.00 -0.25 0.52 0.54 0.98 0.00 0.00 173.24 175.04 1a6j n ARG 22 N -0.84 -2.77 -2.91 4.02 1.74 -0.94 -4.87 116.66 110.10 1a6j n ARG 22 Ca -0.05 0.33 -0.40 0.00 -0.77 0.00 0.00 57.85 56.96 1a6j n ARG 22 Cb 0.64 -4.64 -0.05 0.00 -1.02 0.00 0.00 32.46 27.39 1a6j n ARG 22 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a6j s VAL 23 N -3.71 4.60 -0.16 1.55 1.01 0.23 -4.61 120.40 119.31 1a6j s VAL 23 Ca 0.35 1.77 0.01 0.00 0.00 0.00 0.00 61.98 64.11 1a6j s VAL 23 Cb -0.19 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1a6j s VAL 23 CO 0.93 0.38 -0.17 -2.28 0.00 0.00 0.00 175.10 173.96 1a6j s HIS 24 N -0.24 2.76 0.02 5.22 5.04 -1.26 0.13 115.29 126.96 1a6j s HIS 24 Ca 0.40 -1.19 -0.18 0.00 -1.54 0.00 0.00 55.06 52.56 1a6j s HIS 24 Cb -0.22 -1.88 0.03 0.00 0.04 0.00 0.00 32.58 30.55 1a6j s HIS 24 CO 0.25 -0.55 0.39 0.00 -2.34 0.00 0.00 174.74 172.49 1a6j n GLN 26 N 0.80 2.09 -3.76 0.00 6.02 -1.26 -4.88 117.38 116.40 1a6j n GLN 26 Ca -0.20 -1.88 -0.10 0.00 -0.01 0.00 0.00 57.00 54.82 1a6j n GLN 26 Cb 0.58 -1.43 -0.05 0.00 1.02 0.00 0.00 30.24 30.36 1a6j n GLN 26 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1a6j s SER 27 N -1.73 -0.14 0.34 1.08 1.04 -1.26 -4.87 113.70 108.17 1a6j s SER 27 Ca 0.27 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.21 1a6j s SER 27 Cb 0.19 0.48 0.62 0.00 0.10 0.00 0.00 66.02 67.40 1a6j s SER 27 CO 0.28 -0.90 1.97 0.50 0.98 0.00 0.00 173.24 176.07 1a6j h LYS 28 N 2.40 0.77 -0.42 4.02 3.64 -1.96 -1.16 116.57 123.86 1a6j h LYS 28 Ca -0.32 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 58.89 1a6j h LYS 28 Cb 1.24 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1a6j h LYS 28 CO 0.46 0.56 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.87 1a6j h LYS 29 N 0.79 0.82 -0.40 1.90 3.64 -1.96 -0.58 116.57 120.78 1a6j h LYS 29 Ca 0.20 -0.32 -0.16 0.00 -1.27 0.00 0.00 60.65 59.11 1a6j h LYS 29 Cb 0.01 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1a6j h LYS 29 CO -0.03 0.94 -0.37 -0.09 -2.27 0.00 0.00 179.45 177.63 1a6j h ARG 30 N 0.64 0.95 -0.24 1.90 1.12 -1.90 -1.82 114.38 115.04 1a6j h ARG 30 Ca 0.11 -0.49 0.03 0.00 -1.11 0.00 0.00 59.98 58.51 1a6j h ARG 30 Cb 0.64 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.59 1a6j h ARG 30 CO 0.04 1.15 0.07 0.00 -3.11 0.00 0.00 179.97 178.13 1a6j h ALA 31 N 0.78 0.27 0.00 2.80 0.00 -1.07 -0.76 119.26 121.28 1a6j h ALA 31 Ca 0.07 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1a6j h ALA 31 Cb 0.97 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1a6j h ALA 31 CO 0.09 -0.34 -0.16 -0.07 0.00 0.00 0.00 179.25 178.77 1a6j h LEU 32 N 0.18 0.00 -0.04 0.00 3.38 -0.99 -2.09 115.31 115.76 1a6j h LEU 32 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1a6j h LEU 32 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1a6j h LEU 32 CO -0.12 0.16 -0.05 -0.33 0.09 0.00 0.00 178.44 178.20 1a6j h GLU 33 N 0.00 0.10 -0.35 1.13 5.08 -0.39 -1.54 114.58 118.61 1a6j h GLU 33 Ca -0.00 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1a6j h GLU 33 Cb 0.34 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1a6j h GLU 33 CO 0.02 0.59 -0.11 0.82 -1.00 0.00 0.00 179.01 179.34 1a6j h ILE 34 N -0.38 0.61 -0.70 3.13 2.04 -0.71 0.11 117.51 121.60 1a6j h ILE 34 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.93 1a6j h ILE 34 Cb 0.58 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1a6j h ILE 34 CO 0.01 0.00 0.39 0.40 0.00 0.00 0.00 178.15 178.96 1a6j h ILE 35 N -0.03 0.97 -0.77 -0.67 2.04 -1.37 -2.05 117.51 115.62 1a6j h ILE 35 Ca 0.17 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1a6j h ILE 35 Cb 0.29 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1a6j h ILE 35 CO -0.38 0.13 0.38 0.28 0.00 0.00 0.00 178.15 178.57 1a6j h SER 36 N 0.72 0.99 0.71 1.72 0.02 0.21 -2.04 113.55 115.87 1a6j h SER 36 Ca 0.31 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1a6j h SER 36 Cb 0.20 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.49 1a6j h SER 36 CO -0.19 0.82 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.66 1a6j h GLU 37 N 1.09 -0.91 -0.54 3.45 5.08 -0.36 0.14 114.58 122.52 1a6j h GLU 37 Ca 0.27 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.80 1a6j h GLU 37 Cb 0.09 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.44 1a6j h GLU 37 CO -0.04 -0.58 -0.26 -0.07 -1.00 0.00 0.00 179.01 177.06 1a6j h LEU 38 N -1.13 -0.90 -1.04 1.33 3.38 -1.31 0.16 115.31 115.80 1a6j h LEU 38 Ca -0.10 0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1a6j h LEU 38 Cb 0.75 0.48 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1a6j h LEU 38 CO 0.16 -0.27 -0.31 0.00 0.09 0.00 0.00 178.44 178.11 1a6j h ALA 39 N 1.17 1.19 -0.26 1.53 0.00 -1.39 -2.98 119.26 118.52 1a6j h ALA 39 Ca 0.24 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a6j h ALA 39 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a6j h ALA 39 CO -0.62 0.53 0.16 0.00 0.00 0.00 0.00 179.25 179.32 1a6j h ALA 40 N 1.41 0.33 -0.99 0.00 0.00 0.14 -1.51 119.26 118.65 1a6j h ALA 40 Ca 0.04 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1a6j h ALA 40 Cb 0.68 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1a6j h ALA 40 CO 0.05 -0.16 0.61 0.87 0.00 0.00 0.00 179.25 180.62 1a6j h LYS 41 N 0.33 0.66 -0.06 0.00 6.56 -1.08 0.47 116.57 123.46 1a6j h LYS 41 Ca 0.09 -0.04 -0.23 0.00 -1.06 0.00 0.00 60.65 59.41 1a6j h LYS 41 Cb 0.02 -0.15 0.01 0.00 -0.57 0.00 0.00 32.23 31.54 1a6j h LYS 41 CO -0.02 0.44 -0.90 1.96 -2.06 0.00 0.00 179.45 178.87 1a6j h GLN 42 N 0.68 0.64 0.00 3.15 1.08 -1.45 -3.33 115.11 115.88 1a6j h GLN 42 Ca 0.55 -0.61 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1a6j h GLN 42 Cb 0.97 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1a6j h GLN 42 CO -0.33 1.22 -0.40 -0.07 -0.95 0.00 0.00 178.83 178.30 1a6j h LEU 43 N 0.39 0.00 -0.90 1.46 3.38 0.16 -3.48 115.31 116.33 1a6j h LEU 43 Ca -0.08 -0.06 -0.31 0.00 0.09 0.00 0.00 57.88 57.52 1a6j h LEU 43 Cb 1.53 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.39 1a6j h LEU 43 CO 0.17 0.03 -0.52 -1.20 0.09 0.00 0.00 178.44 177.01 1a6j n SER 44 N -2.52 -5.33 -4.31 -0.43 7.64 0.14 -4.93 113.62 103.88 1a6j n SER 44 Ca 0.03 -0.41 -0.26 0.00 1.01 0.00 0.00 58.87 59.24 1a6j n SER 44 Cb 0.48 -3.98 -0.13 0.00 -1.01 0.00 0.00 64.21 59.58 1a6j n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a6j s LEU 45 N -5.83 2.28 0.17 -3.43 1.43 -1.18 -5.08 118.68 107.04 1a6j s LEU 45 Ca 0.45 -0.68 -0.31 0.00 -1.03 0.00 0.00 54.13 52.56 1a6j s LEU 45 Cb -0.20 -1.00 -0.09 0.00 0.03 0.00 0.00 46.19 44.94 1a6j s LEU 45 CO 0.56 0.11 1.37 -2.16 0.23 0.00 0.00 176.35 176.45 1a6j s PRO 46 N -1.83 4.34 0.57 1.29 0.04 -1.26 -4.61 135.00 133.53 1a6j s PRO 46 Ca 0.09 2.10 0.36 0.00 0.04 0.00 0.00 61.00 63.59 1a6j s PRO 46 Cb -0.10 -3.21 1.44 0.00 0.04 0.00 0.00 34.50 32.67 1a6j s PRO 46 CO 0.04 -0.36 1.65 -1.35 0.04 0.00 0.00 177.00 177.02 1a6j h PRO 47 N 5.98 0.00 -0.33 0.56 0.10 -1.93 0.39 132.00 136.78 1a6j h PRO 47 Ca -0.44 0.00 -0.14 0.00 0.10 0.00 0.00 66.00 65.52 1a6j h PRO 47 Cb 1.21 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.30 1a6j h PRO 47 CO 0.82 0.00 -0.37 0.37 0.10 0.00 0.00 178.00 178.91 1a6j h GLN 48 N 0.00 0.76 -0.48 1.05 4.15 -1.92 -0.07 115.11 118.60 1a6j h GLN 48 Ca 0.57 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 1a6j h GLN 48 Cb 2.59 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 30.27 1a6j h GLN 48 CO -0.01 1.00 0.18 0.28 -1.93 0.00 0.00 178.83 178.36 1a6j h VAL 49 N 0.63 1.21 -0.46 2.39 2.07 -0.58 -0.15 116.25 121.35 1a6j h VAL 49 Ca 0.06 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 66.80 1a6j h VAL 49 Cb 0.92 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1a6j h VAL 49 CO 0.08 0.25 -0.09 0.58 0.02 0.00 0.00 177.57 178.41 1a6j h VAL 50 N 0.63 1.27 -0.78 2.57 2.07 -1.38 -2.90 116.25 117.73 1a6j h VAL 50 Ca 0.16 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1a6j h VAL 50 Cb 0.22 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1a6j h VAL 50 CO -0.01 0.41 0.37 0.15 0.02 0.00 0.00 177.57 178.52 1a6j h PHE 51 N 0.72 1.13 -0.85 1.57 3.57 -0.79 -2.46 116.94 119.83 1a6j h PHE 51 Ca 0.12 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1a6j h PHE 51 Cb 0.63 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 1a6j h PHE 51 CO 0.05 0.83 0.50 1.49 -2.23 0.00 0.00 178.31 178.95 1a6j h GLU 52 N 1.10 1.15 -0.14 1.11 4.57 -0.95 0.25 114.58 121.67 1a6j h GLU 52 Ca 0.27 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1a6j h GLU 52 Cb 0.12 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1a6j h GLU 52 CO -0.03 0.81 -0.01 0.00 -1.18 0.00 0.00 179.01 178.60 1a6j h ALA 53 N 1.39 0.19 -0.40 2.92 0.00 -1.26 -0.95 119.26 121.15 1a6j h ALA 53 Ca 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1a6j h ALA 53 Cb -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1a6j h ALA 53 CO -0.06 -0.10 0.18 0.82 0.00 0.00 0.00 179.25 180.10 1a6j h ILE 54 N -0.02 1.18 -0.90 0.00 2.04 -1.26 -2.87 117.51 115.69 1a6j h ILE 54 Ca 0.04 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1a6j h ILE 54 Cb 0.39 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1a6j h ILE 54 CO 0.01 0.20 0.49 0.25 0.00 0.00 0.00 178.15 179.09 1a6j h LEU 55 N 0.50 1.13 -1.02 1.44 5.85 -0.85 -1.65 115.31 120.71 1a6j h LEU 55 Ca 0.14 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1a6j h LEU 55 Cb 0.14 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 1a6j h LEU 55 CO -0.02 0.90 0.64 0.74 -0.34 0.00 0.00 178.44 180.37 1a6j h THR 56 N 1.26 1.00 -0.01 1.05 2.02 -0.94 -0.41 112.91 116.88 1a6j h THR 56 Ca 0.32 -0.37 -0.25 0.00 0.77 0.00 0.00 66.41 66.88 1a6j h THR 56 Cb 0.03 -0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.28 1a6j h THR 56 CO -0.05 0.20 -0.98 -0.09 0.37 0.00 0.00 175.52 174.97 1a6j h ARG 57 N 1.09 0.56 -0.55 6.66 9.65 -1.41 -3.23 114.38 127.16 1a6j h ARG 57 Ca 0.46 -0.60 0.04 0.00 -1.10 0.00 0.00 59.98 58.79 1a6j h ARG 57 Cb 0.33 0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.05 1a6j h ARG 57 CO -0.22 1.22 0.36 1.49 2.80 0.00 0.00 179.97 185.62 1a6j h GLU 58 N 0.32 0.58 0.00 0.20 4.57 -0.22 0.25 114.58 120.29 1a6j h GLU 58 Ca -0.10 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1a6j h GLU 58 Cb 1.63 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1a6j h GLU 58 CO 0.18 0.38 0.00 1.63 -1.18 0.00 0.00 179.01 180.02 1a6j n LYS 59 N -4.47 0.37 0.00 1.92 5.02 -0.31 -1.71 118.16 118.98 1a6j n LYS 59 Ca 0.07 0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.56 1a6j n LYS 59 Cb 0.17 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.84 1a6j n LYS 59 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1a6j n MET 60 N -1.19 2.22 0.00 1.97 2.81 0.08 -4.99 117.12 118.02 1a6j n MET 60 Ca 0.10 -1.78 0.00 0.00 -1.81 0.00 0.00 57.70 54.21 1a6j n MET 60 Cb 0.11 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 1a6j n MET 60 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1a6j n GLY 61 N 1.33 4.73 3.72 3.03 0.00 -0.69 -5.09 105.19 112.21 1a6j n GLY 61 Ca 0.15 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1a6j n GLY 61 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a6j n SER 62 N 0.00 3.86 -0.70 1.61 2.88 -1.24 -4.56 113.62 115.47 1a6j n SER 62 Ca 0.00 1.08 0.01 0.00 -1.33 0.00 0.00 58.87 58.63 1a6j n SER 62 Cb 0.00 -1.56 0.05 0.00 -0.75 0.00 0.00 64.21 61.95 1a6j n SER 62 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1a6j n THR 63 N 3.52 0.39 -2.74 2.46 -2.24 -1.26 -4.69 114.28 109.73 1a6j n THR 63 Ca 0.15 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1a6j n THR 63 Cb 0.34 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 1a6j n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1a6j s GLY 64 N -0.06 1.19 -0.00 3.38 0.00 -1.26 -1.46 107.32 109.11 1a6j s GLY 64 Ca 0.07 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1a6j s GLY 64 CO 0.02 2.28 0.90 0.29 0.00 0.00 0.00 173.10 176.59 1a6j n ILE 65 N 6.09 0.01 0.00 0.90 -5.35 -1.07 -1.68 119.36 118.27 1a6j n ILE 65 Ca -0.01 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1a6j n ILE 65 Cb 0.47 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1a6j n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a6j n GLY 66 N 0.40 2.00 2.43 3.28 0.00 -1.25 -4.91 105.19 107.14 1a6j n GLY 66 Ca 0.00 -1.87 -0.19 0.00 0.00 0.00 0.00 46.02 43.97 1a6j n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a6j n ASN 67 N -0.09 -5.33 -0.24 1.61 3.02 -1.26 -2.66 115.26 110.30 1a6j n ASN 67 Ca 0.00 0.17 -0.03 0.00 -0.03 0.00 0.00 54.58 54.69 1a6j n ASN 67 Cb 0.00 -4.42 -0.01 0.00 -0.61 0.00 0.00 39.78 34.74 1a6j n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a6j n GLY 68 N -0.89 0.63 3.64 7.41 0.00 -1.25 -4.94 105.19 109.79 1a6j n GLY 68 Ca -0.21 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 1a6j n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a6j s ILE 69 N -2.08 3.73 -0.06 -0.61 -1.09 -1.09 -1.42 121.20 118.59 1a6j s ILE 69 Ca 0.00 -1.11 -0.05 0.00 -2.23 0.00 0.00 60.65 57.26 1a6j s ILE 69 Cb 0.00 -2.76 0.02 0.00 -1.58 0.00 0.00 42.46 38.14 1a6j s ILE 69 CO 0.00 0.12 0.16 0.00 -1.23 0.00 0.00 174.94 173.99 1a6j s ALA 70 N -1.27 -0.37 -0.55 9.38 0.00 -0.56 -2.61 121.76 125.78 1a6j s ALA 70 Ca 0.24 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.80 1a6j s ALA 70 Cb -0.11 -0.33 0.24 0.00 0.00 0.00 0.00 23.12 22.92 1a6j s ALA 70 CO 0.16 -0.10 0.63 0.44 0.00 0.00 0.00 175.76 176.89 1a6j n ILE 71 N 3.37 1.11 -1.97 0.00 -5.35 -0.53 -1.48 119.36 114.51 1a6j n ILE 71 Ca -0.17 -4.70 -0.34 0.00 -0.27 0.00 0.00 62.75 57.27 1a6j n ILE 71 Cb 0.57 -2.04 0.03 0.00 -1.74 0.00 0.00 39.64 36.46 1a6j n ILE 71 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1a6j s PRO 72 N -1.85 3.03 0.04 6.28 0.02 -1.17 -4.89 135.00 136.45 1a6j s PRO 72 Ca 0.37 1.50 -0.27 0.00 0.02 0.00 0.00 61.00 62.62 1a6j s PRO 72 Cb 0.14 -1.97 0.07 0.00 0.02 0.00 0.00 34.50 32.75 1a6j s PRO 72 CO -0.06 -1.09 0.62 -3.38 -0.33 0.00 0.00 177.00 172.76 1a6j s HIS 73 N -2.08 -0.57 0.03 6.54 -3.43 -1.26 -2.01 115.29 112.50 1a6j s HIS 73 Ca 0.70 0.74 -0.02 0.00 -0.80 0.00 0.00 55.06 55.67 1a6j s HIS 73 Cb -0.22 0.45 -0.02 0.00 -1.43 0.00 0.00 32.58 31.35 1a6j s HIS 73 CO 0.35 -0.69 0.01 0.20 -2.00 0.00 0.00 174.74 172.61 1a6j s GLY 74 N -1.86 0.28 -0.14 -1.38 0.00 -0.91 -4.46 107.32 98.84 1a6j s GLY 74 Ca -0.06 -0.73 -0.07 0.00 0.00 0.00 0.00 44.72 43.86 1a6j s GLY 74 CO 0.00 -0.83 0.09 1.25 0.00 0.00 0.00 173.10 173.60 1a6j s LYS 75 N -2.45 3.63 0.42 2.90 2.20 -1.26 -1.85 119.74 123.33 1a6j s LYS 75 Ca -0.07 -0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.35 1a6j s LYS 75 Cb -0.03 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1a6j s LYS 75 CO -0.04 0.54 0.22 -0.51 -0.36 0.00 0.00 175.35 175.20 1a6j s LEU 76 N -0.37 3.14 0.35 5.43 1.43 0.03 -4.81 118.68 123.88 1a6j s LEU 76 Ca 0.10 -1.04 -0.27 0.00 -1.03 0.00 0.00 54.13 51.90 1a6j s LEU 76 Cb -0.12 -1.52 -0.12 0.00 0.03 0.00 0.00 46.19 44.46 1a6j s LEU 76 CO 0.02 -0.59 1.09 -0.62 0.23 0.00 0.00 176.35 176.48 1a6j n GLU 77 N -1.31 1.57 -0.34 1.70 -0.58 -1.26 -0.06 120.64 120.36 1a6j n GLU 77 Ca -0.01 0.56 0.23 0.00 -0.42 0.00 0.00 57.16 57.52 1a6j n GLU 77 Cb 0.64 -2.06 0.46 0.00 -0.57 0.00 0.00 31.44 29.92 1a6j n GLU 77 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1a6j h GLU 78 N 1.98 0.38 0.00 3.49 5.08 -1.93 0.21 114.58 123.79 1a6j h GLU 78 Ca -0.43 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1a6j h GLU 78 Cb 1.32 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1a6j h GLU 78 CO 0.60 0.25 0.00 -0.40 -1.00 0.00 0.00 179.01 178.46 1a6j n ASP 79 N -4.96 0.00 -4.77 1.42 5.68 -1.26 -4.60 116.55 108.05 1a6j n ASP 79 Ca 0.30 -1.34 -0.38 0.00 -0.50 0.00 0.00 54.79 52.87 1a6j n ASP 79 Cb 0.93 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.89 1a6j n ASP 79 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1a6j s THR 80 N -2.00 3.10 -0.28 2.12 2.01 0.75 -4.95 115.64 116.39 1a6j s THR 80 Ca 0.05 0.90 0.20 0.00 0.31 0.00 0.00 61.69 63.15 1a6j s THR 80 Cb 0.02 -3.49 0.12 0.00 0.01 0.00 0.00 72.50 69.16 1a6j s THR 80 CO 0.04 0.06 1.31 -0.07 -0.69 0.00 0.00 174.62 175.27 1a6j h LEU 81 N 2.49 0.00 -7.67 4.42 3.38 -1.89 -3.46 115.31 112.58 1a6j h LEU 81 Ca -0.49 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 1a6j h LEU 81 Cb 1.24 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.86 1a6j h LEU 81 CO 0.62 0.19 -0.24 -0.60 0.09 0.00 0.00 178.44 178.50 1a6j s ARG 82 N -3.16 0.98 -0.22 1.13 3.52 -1.26 -5.10 118.95 114.84 1a6j s ARG 82 Ca 0.03 -0.88 -0.10 0.00 -0.13 0.00 0.00 55.73 54.66 1a6j s ARG 82 Cb 0.07 0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 33.82 1a6j s ARG 82 CO 0.74 -0.35 0.13 0.00 -0.81 0.00 0.00 175.30 175.01 1a6j s ALA 83 N -3.85 3.54 -0.09 6.12 0.00 -1.26 -4.41 121.76 121.81 1a6j s ALA 83 Ca 0.05 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1a6j s ALA 83 Cb 0.03 -2.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 1a6j s ALA 83 CO -0.10 -0.09 -0.16 0.08 0.00 0.00 0.00 175.76 175.49 1a6j s VAL 84 N 0.87 2.87 0.10 0.00 1.01 -0.43 -4.68 120.40 120.13 1a6j s VAL 84 Ca 0.06 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1a6j s VAL 84 Cb -0.13 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1a6j s VAL 84 CO 0.03 0.55 0.04 -0.83 0.00 0.00 0.00 175.10 174.89 1a6j s GLY 85 N -0.08 1.92 -0.01 4.51 0.00 -0.52 -0.54 107.32 112.59 1a6j s GLY 85 Ca -0.03 -1.11 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 1a6j s GLY 85 CO 0.04 -1.09 0.03 0.14 0.00 0.00 0.00 173.10 172.21 1a6j s VAL 86 N -1.40 -0.03 -0.12 1.40 1.01 -0.04 -4.64 120.40 116.58 1a6j s VAL 86 Ca 0.27 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1a6j s VAL 86 Cb -0.12 -0.06 0.03 0.00 0.00 0.00 0.00 36.38 36.23 1a6j s VAL 86 CO 0.20 0.04 -0.04 0.12 0.00 0.00 0.00 175.10 175.42 1a6j s PHE 87 N 0.47 1.29 -0.02 5.22 5.36 -0.56 -0.52 117.98 129.22 1a6j s PHE 87 Ca -0.04 -0.68 0.06 0.00 -0.96 0.00 0.00 56.93 55.31 1a6j s PHE 87 Cb -0.06 -1.12 -0.01 0.00 -0.34 0.00 0.00 43.02 41.49 1a6j s PHE 87 CO -0.01 -0.50 -0.21 0.14 -1.46 0.00 0.00 175.22 173.17 1a6j s VAL 88 N 1.77 1.69 -0.18 3.12 -7.23 -0.44 -1.54 120.40 117.60 1a6j s VAL 88 Ca 0.03 -0.91 -0.03 0.00 -1.81 0.00 0.00 61.98 59.27 1a6j s VAL 88 Cb -0.13 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 1a6j s VAL 88 CO -0.07 0.48 -0.05 -1.58 -0.31 0.00 0.00 175.10 173.57 1a6j s GLN 89 N -0.42 3.52 0.16 4.82 0.74 -0.42 -1.85 119.66 126.22 1a6j s GLN 89 Ca 0.06 -0.58 -0.11 0.00 0.05 0.00 0.00 55.36 54.78 1a6j s GLN 89 Cb -0.09 -2.93 -0.07 0.00 1.10 0.00 0.00 33.01 31.03 1a6j s GLN 89 CO -0.00 0.06 0.51 -0.51 -0.55 0.00 0.00 175.29 174.80 1a6j s LEU 90 N 0.82 4.27 -0.02 3.68 1.43 -0.41 -0.60 118.68 127.86 1a6j s LEU 90 Ca -0.01 0.92 -0.25 0.00 -1.03 0.00 0.00 54.13 53.76 1a6j s LEU 90 Cb -0.15 -3.37 -0.19 0.00 0.03 0.00 0.00 46.19 42.51 1a6j s LEU 90 CO 0.02 0.05 1.22 -0.08 0.23 0.00 0.00 176.35 177.78 1a6j h GLU 91 N 3.15 -0.11 -5.31 1.70 4.57 -0.57 -3.44 114.58 114.57 1a6j h GLU 91 Ca -0.48 0.01 -0.68 0.00 -1.18 0.00 0.00 59.36 57.03 1a6j h GLU 91 Cb 1.18 0.03 -0.33 0.00 -0.16 0.00 0.00 28.75 29.47 1a6j h GLU 91 CO 0.68 0.32 -0.87 0.95 -1.18 0.00 0.00 179.01 178.90 1a6j s THR 92 N -4.29 2.13 0.35 0.32 -4.23 -1.26 -5.06 115.64 103.60 1a6j s THR 92 Ca -0.15 -0.99 -0.29 0.00 -1.18 0.00 0.00 61.69 59.09 1a6j s THR 92 Cb 0.02 -1.83 -0.11 0.00 1.34 0.00 0.00 72.50 71.93 1a6j s THR 92 CO 0.62 0.55 1.41 -2.16 -0.54 0.00 0.00 174.62 174.51 1a6j s PRO 93 N 0.44 4.22 0.30 3.99 0.04 -1.26 -4.82 135.00 137.91 1a6j s PRO 93 Ca -0.16 2.41 0.09 0.00 0.04 0.00 0.00 61.00 63.38 1a6j s PRO 93 Cb -0.17 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1a6j s PRO 93 CO 0.07 -0.39 0.09 0.96 0.04 0.00 0.00 177.00 177.77 1a6j s ILE 94 N -1.02 3.37 0.18 0.56 -4.36 -1.06 -4.77 121.20 114.10 1a6j s ILE 94 Ca 0.52 -1.74 -0.30 0.00 -0.26 0.00 0.00 60.65 58.87 1a6j s ILE 94 Cb -0.44 -2.98 -0.08 0.00 1.25 0.00 0.00 42.46 40.22 1a6j s ILE 94 CO 0.57 -0.28 1.14 0.00 0.24 0.00 0.00 174.94 176.61 1a6j s ALA 95 N -2.35 3.39 0.00 2.27 0.00 -1.26 0.49 121.76 124.31 1a6j s ALA 95 Ca 0.35 0.86 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1a6j s ALA 95 Cb -0.05 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1a6j s ALA 95 CO 0.22 -0.28 0.65 0.34 0.00 0.00 0.00 175.76 176.69 1a6j n PHE 96 N 2.48 0.00 -2.43 0.00 7.35 -1.26 -4.14 117.46 119.46 1a6j n PHE 96 Ca 0.03 -0.15 -0.18 0.00 -0.76 0.00 0.00 57.45 56.40 1a6j n PHE 96 Cb 0.46 -0.01 -0.00 0.00 0.35 0.00 0.00 39.48 40.27 1a6j n PHE 96 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1a6j n ASP 97 N -0.15 -5.28 -4.56 -2.13 9.92 -1.26 -4.64 116.55 108.45 1a6j n ASP 97 Ca 0.00 -0.05 -0.37 0.00 -0.53 0.00 0.00 54.79 53.83 1a6j n ASP 97 Cb 0.43 -4.31 0.05 0.00 -0.64 0.00 0.00 41.12 36.65 1a6j n ASP 97 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a6j n ALA 98 N -2.10 -0.38 0.28 2.24 0.00 -1.26 -4.59 120.51 114.70 1a6j n ALA 98 Ca -0.19 -0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.36 1a6j n ALA 98 Cb 0.65 -2.01 0.92 0.00 0.00 0.00 0.00 19.45 19.02 1a6j n ALA 98 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1a6j h ILE 99 N 0.23 0.45 -0.44 0.00 2.10 -1.61 -1.44 117.51 116.79 1a6j h ILE 99 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.47 1a6j h ILE 99 Cb 1.37 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 38.05 1a6j h ILE 99 CO 0.48 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.65 1a6j n ASP 100 N -3.74 3.27 0.00 2.19 5.75 -1.26 -4.98 116.55 117.78 1a6j n ASP 100 Ca -0.02 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 1a6j n ASP 100 Cb 0.15 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1a6j n ASP 100 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1a6j n ASN 101 N 0.75 0.00 -4.77 -1.12 3.02 -0.55 -4.98 115.26 107.61 1a6j n ASN 101 Ca 0.15 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.31 1a6j n ASN 101 Cb 0.51 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1a6j n ASN 101 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1a6j s GLN 102 N 0.00 4.15 0.74 3.52 -0.21 -1.26 -4.79 119.66 121.80 1a6j s GLN 102 Ca 0.00 1.95 -0.12 0.00 0.02 0.00 0.00 55.36 57.21 1a6j s GLN 102 Cb 0.00 -2.81 0.04 0.00 1.00 0.00 0.00 33.01 31.24 1a6j s GLN 102 CO 0.00 -0.28 1.10 -1.25 -2.12 0.00 0.00 175.29 172.74 1a6j s PRO 103 N -2.12 2.42 -0.22 2.91 0.04 -1.26 -4.46 135.00 132.30 1a6j s PRO 103 Ca 0.54 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.75 1a6j s PRO 103 Cb -0.34 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1a6j s PRO 103 CO 0.43 -1.53 0.11 0.08 0.04 0.00 0.00 177.00 176.13 1a6j s VAL 104 N -2.71 4.94 -0.19 -0.36 1.01 0.18 -3.92 120.40 119.35 1a6j s VAL 104 Ca 0.63 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.48 1a6j s VAL 104 Cb -0.18 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 1a6j s VAL 104 CO 0.51 0.38 -0.29 -0.67 0.00 0.00 0.00 175.10 175.03 1a6j n ASP 105 N 4.19 1.92 -4.68 3.32 -0.08 -0.51 -2.57 116.55 118.14 1a6j n ASP 105 Ca -0.16 0.39 -0.35 0.00 -1.51 0.00 0.00 54.79 53.16 1a6j n ASP 105 Cb 0.52 -0.79 -0.09 0.00 2.34 0.00 0.00 41.12 43.10 1a6j n ASP 105 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1a6j s LEU 106 N -7.90 3.70 -0.03 -2.67 1.43 -0.80 -1.28 118.68 111.13 1a6j s LEU 106 Ca -0.28 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1a6j s LEU 106 Cb 0.06 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.42 1a6j s LEU 106 CO 0.41 0.32 -0.01 -0.76 0.23 0.00 0.00 176.35 176.53 1a6j s LEU 107 N -0.50 1.26 -0.18 1.79 1.02 -0.77 -1.50 118.68 119.79 1a6j s LEU 107 Ca 0.09 -0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.20 1a6j s LEU 107 Cb -0.12 -0.28 0.03 0.00 0.02 0.00 0.00 46.19 45.84 1a6j s LEU 107 CO 0.02 -0.08 -0.16 0.12 0.02 0.00 0.00 176.35 176.28 1a6j s PHE 108 N 0.93 2.60 0.11 0.29 5.36 -0.55 -1.32 117.98 125.40 1a6j s PHE 108 Ca -0.10 -1.60 0.07 0.00 -0.96 0.00 0.00 56.93 54.34 1a6j s PHE 108 Cb -0.13 -1.78 -0.04 0.00 -0.34 0.00 0.00 43.02 40.72 1a6j s PHE 108 CO -0.01 -0.77 -0.11 0.00 -1.46 0.00 0.00 175.22 172.87 1a6j s ALA 109 N 1.34 2.91 -0.05 11.12 0.00 0.32 -3.04 121.76 134.37 1a6j s ALA 109 Ca 0.02 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1a6j s ALA 109 Cb -0.14 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.15 1a6j s ALA 109 CO -0.11 0.63 0.01 -1.17 0.00 0.00 0.00 175.76 175.12 1a6j s LEU 110 N -2.20 0.81 -0.22 0.00 2.96 -0.85 -0.87 118.68 118.31 1a6j s LEU 110 Ca 0.21 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 54.01 1a6j s LEU 110 Cb -0.11 -0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 1a6j s LEU 110 CO 0.13 -0.15 0.06 -0.76 -1.32 0.00 0.00 176.35 174.31 1a6j s LEU 111 N 1.53 3.54 -0.04 -0.68 2.01 0.30 -2.14 118.68 123.20 1a6j s LEU 111 Ca -0.02 -0.11 0.06 0.00 0.01 0.00 0.00 54.13 54.06 1a6j s LEU 111 Cb -0.13 -1.92 -0.01 0.00 0.01 0.00 0.00 46.19 44.14 1a6j s LEU 111 CO -0.03 0.05 -0.21 -0.69 1.01 0.00 0.00 176.35 176.48 1a6j s VAL 112 N 1.12 1.73 0.38 -1.59 1.01 -0.77 -1.32 120.40 120.97 1a6j s VAL 112 Ca 0.04 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 1a6j s VAL 112 Cb -0.14 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 1a6j s VAL 112 CO 0.03 0.49 1.38 -2.84 0.00 0.00 0.00 175.10 174.16 1a6j s PRO 113 N -0.18 4.08 0.29 2.72 0.02 -1.26 -0.79 135.00 139.87 1a6j s PRO 113 Ca -0.00 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.38 1a6j s PRO 113 Cb -0.11 -2.90 0.72 0.00 0.02 0.00 0.00 34.50 32.23 1a6j s PRO 113 CO 0.02 -0.47 1.66 0.00 -0.33 0.00 0.00 177.00 177.88 1a6j h ALA 114 N 2.92 1.31 0.00 -1.55 0.00 -0.61 0.59 119.26 121.92 1a6j h ALA 114 Ca -0.50 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1a6j h ALA 114 Cb 1.24 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1a6j h ALA 114 CO 0.64 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 1a6j n ASP 115 N -5.18 0.00 -0.26 0.00 5.75 -1.26 -3.06 116.55 112.53 1a6j n ASP 115 Ca 0.22 -0.18 0.09 0.00 -0.01 0.00 0.00 54.79 54.91 1a6j n ASP 115 Cb 0.68 -0.20 0.16 0.00 -1.03 0.00 0.00 41.12 40.74 1a6j n ASP 115 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a6j n GLN 116 N -1.20 1.44 0.37 0.11 6.02 0.20 -4.82 117.38 119.50 1a6j n GLN 116 Ca 0.11 -2.79 -0.18 0.00 -0.01 0.00 0.00 57.00 54.12 1a6j n GLN 116 Cb 0.12 -1.55 -0.09 0.00 1.02 0.00 0.00 30.24 29.74 1a6j n GLN 116 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1a6j h THR 117 N 0.35 0.00 -1.00 5.09 2.02 -1.57 -2.46 112.91 115.34 1a6j h THR 117 Ca 0.00 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.39 1a6j h THR 117 Cb 1.03 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.33 1a6j h THR 117 CO 0.02 0.00 0.60 0.11 0.37 0.00 0.00 175.52 176.61 1a6j h LYS 118 N -1.09 0.67 -0.16 6.66 1.79 -1.88 -1.36 116.57 121.21 1a6j h LYS 118 Ca -0.09 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.29 1a6j h LYS 118 Cb 0.89 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1a6j h LYS 118 CO 0.06 0.44 -0.09 1.15 -1.08 0.00 0.00 179.45 179.93 1a6j h THR 119 N 0.69 1.32 0.00 -0.16 2.02 -1.89 -3.37 112.91 111.52 1a6j h THR 119 Ca 0.60 -1.15 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 1a6j h THR 119 Cb 1.01 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 1a6j h THR 119 CO -0.42 0.34 -1.16 0.45 0.37 0.00 0.00 175.52 175.10 1a6j h HIS 120 N -0.00 0.00 0.00 3.16 3.86 -0.92 -3.33 115.15 117.92 1a6j h HIS 120 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1a6j h HIS 120 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1a6j h HIS 120 CO 0.07 0.36 0.00 1.28 0.86 0.00 0.00 177.93 180.50 1a6j n LEU 121 N -2.85 0.52 0.02 2.43 4.77 -0.57 -0.92 117.00 120.40 1a6j n LEU 121 Ca -0.05 0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1a6j n LEU 121 Cb 0.73 -0.52 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1a6j n LEU 121 CO 0.42 -0.42 0.46 -0.74 -1.33 0.00 0.00 177.39 175.77 1a6j h HIS 122 N 0.00 0.63 -0.13 -1.77 2.76 -1.72 -2.59 115.15 112.32 1a6j h HIS 122 Ca 0.00 -0.23 -0.04 0.00 -2.20 0.00 0.00 60.37 57.89 1a6j h HIS 122 Cb 0.39 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1a6j h HIS 122 CO 0.00 0.96 -0.12 1.15 -1.30 0.00 0.00 177.93 178.62 1a6j h THR 123 N 0.38 1.16 -0.50 6.26 2.02 -1.19 -2.68 112.91 118.36 1a6j h THR 123 Ca 0.00 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 1a6j h THR 123 Cb 1.12 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1a6j h THR 123 CO 0.11 0.22 0.05 0.25 0.37 0.00 0.00 175.52 176.52 1a6j h LEU 124 N 0.20 0.83 -0.79 2.58 5.85 -1.24 -2.18 115.31 120.56 1a6j h LEU 124 Ca 0.04 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.36 1a6j h LEU 124 Cb 0.34 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1a6j h LEU 124 CO 0.02 0.90 -0.44 0.77 -0.34 0.00 0.00 178.44 179.35 1a6j h SER 125 N 0.73 0.39 -0.45 1.25 4.64 -1.34 0.91 113.55 119.67 1a6j h SER 125 Ca 0.15 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1a6j h SER 125 Cb 0.44 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1a6j h SER 125 CO 0.02 0.78 0.13 -0.07 -0.87 0.00 0.00 176.83 176.82 1a6j h LEU 126 N 0.30 0.67 -0.57 5.97 3.38 -1.33 -0.38 115.31 123.34 1a6j h LEU 126 Ca 0.02 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 1a6j h LEU 126 Cb 0.90 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1a6j h LEU 126 CO 0.07 0.70 -0.35 0.58 0.09 0.00 0.00 178.44 179.54 1a6j h VAL 127 N 0.60 1.28 -0.42 1.22 2.07 -1.09 -1.70 116.25 118.21 1a6j h VAL 127 Ca 0.14 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 1a6j h VAL 127 Cb 0.28 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1a6j h VAL 127 CO -0.00 0.50 0.25 0.00 0.02 0.00 0.00 177.57 178.33 1a6j h ALA 128 N 0.97 0.53 0.00 1.67 0.00 -0.58 -0.34 119.26 121.51 1a6j h ALA 128 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1a6j h ALA 128 Cb 0.89 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1a6j h ALA 128 CO 0.08 0.03 -0.26 0.87 0.00 0.00 0.00 179.25 179.97 1a6j h LYS 129 N 0.55 0.00 -0.01 0.00 1.57 -0.86 -1.41 116.57 116.41 1a6j h LYS 129 Ca 0.15 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.67 1a6j h LYS 129 Cb 0.01 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.34 1a6j h LYS 129 CO -0.03 0.26 -1.00 -0.09 -0.57 0.00 0.00 179.45 178.02 1a6j h ARG 130 N 0.00 0.63 0.00 3.15 2.43 -0.63 -3.24 114.38 116.71 1a6j h ARG 130 Ca -0.00 -0.66 -0.08 0.00 -0.81 0.00 0.00 59.98 58.42 1a6j h ARG 130 Cb 0.54 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1a6j h ARG 130 CO 0.03 1.26 -0.37 -0.07 -1.51 0.00 0.00 179.97 179.32 1a6j h LEU 131 N 0.36 0.00 0.00 3.80 3.38 -0.52 -2.69 115.31 119.64 1a6j h LEU 131 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1a6j h LEU 131 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1a6j h LEU 131 CO 0.19 0.37 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1a6j n ALA 132 N -2.44 2.23 -2.58 1.53 0.00 -0.58 -4.48 120.51 114.19 1a6j n ALA 132 Ca -0.02 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1a6j n ALA 132 Cb 0.42 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 1a6j n ALA 132 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a6j s ASP 133 N -2.06 6.56 0.35 0.00 2.15 -1.02 -4.93 116.67 117.72 1a6j s ASP 133 Ca 0.29 0.31 0.14 0.00 0.43 0.00 0.00 52.55 53.71 1a6j s ASP 133 Cb 0.14 -2.43 1.00 0.00 -0.30 0.00 0.00 42.92 41.32 1a6j s ASP 133 CO 0.24 -0.89 1.73 0.11 -0.17 0.00 0.00 175.17 176.18 1a6j h LYS 134 N 8.72 0.46 -0.05 4.34 1.57 -1.89 -1.46 116.57 128.26 1a6j h LYS 134 Ca -0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1a6j h LYS 134 Cb 1.08 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 1a6j h LYS 134 CO 0.98 0.30 0.01 1.79 -0.57 0.00 0.00 179.45 181.96 1a6j h THR 135 N 0.47 1.19 -0.57 -0.16 1.35 -1.95 -1.82 112.91 111.44 1a6j h THR 135 Ca 0.65 -0.59 0.06 0.00 -0.55 0.00 0.00 66.41 65.99 1a6j h THR 135 Cb 1.43 1.49 -0.05 0.00 -1.73 0.00 0.00 68.15 69.29 1a6j h THR 135 CO -0.44 0.16 0.27 0.40 -0.25 0.00 0.00 175.52 175.66 1a6j h ILE 136 N -0.14 0.90 -0.06 6.82 1.08 -1.62 -1.76 117.51 122.72 1a6j h ILE 136 Ca 0.02 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1a6j h ILE 136 Cb 0.25 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1a6j h ILE 136 CO 0.00 0.09 0.04 0.00 -0.69 0.00 0.00 178.15 177.59 1a6j h ARG 138 N 0.07 0.81 -0.13 0.00 3.08 -0.65 0.32 114.38 117.88 1a6j h ARG 138 Ca 0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1a6j h ARG 138 Cb 0.01 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 1a6j h ARG 138 CO -0.00 0.54 -0.00 0.00 -1.07 0.00 0.00 179.97 179.43 1a6j h ARG 139 N 0.84 0.23 -0.92 0.04 3.08 -0.84 -0.49 114.38 116.32 1a6j h ARG 139 Ca 0.44 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.44 1a6j h ARG 139 Cb 0.45 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1a6j h ARG 139 CO -0.27 0.48 0.60 -0.07 -1.07 0.00 0.00 179.97 179.64 1a6j h LEU 140 N -0.04 1.02 -1.17 3.04 3.38 0.50 0.80 115.31 122.84 1a6j h LEU 140 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1a6j h LEU 140 Cb 0.37 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1a6j h LEU 140 CO 0.01 0.71 -0.16 0.03 0.09 0.00 0.00 178.44 179.12 1a6j h ARG 141 N 1.19 0.00 -0.00 1.13 3.08 -0.16 -1.64 114.38 117.98 1a6j h ARG 141 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1a6j h ARG 141 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1a6j h ARG 141 CO -0.10 0.16 -0.32 0.00 -1.07 0.00 0.00 179.97 178.63 1a6j n ALA 142 N -2.19 3.20 -1.64 0.04 0.00 -0.06 -4.93 120.51 114.94 1a6j n ALA 142 Ca 0.00 -0.37 -0.46 0.00 0.00 0.00 0.00 53.44 52.61 1a6j n ALA 142 Cb 0.40 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1a6j n ALA 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6j n ALA 143 N -0.95 0.40 0.46 0.00 0.00 0.07 -4.90 120.51 115.59 1a6j n ALA 143 Ca 0.10 0.42 0.05 0.00 0.00 0.00 0.00 53.44 54.01 1a6j n ALA 143 Cb 0.34 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1a6j n ALA 143 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1a6j n GLN 144 N 1.58 1.94 -3.54 0.00 7.27 -1.26 -4.84 117.38 118.53 1a6j n GLN 144 Ca 0.11 -0.66 -0.12 0.00 0.07 0.00 0.00 57.00 56.41 1a6j n GLN 144 Cb 0.30 -1.10 -0.04 0.00 2.41 0.00 0.00 30.24 31.81 1a6j n GLN 144 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1a6j s SER 145 N -1.34 -0.43 0.26 1.69 1.04 -1.26 -4.99 113.70 108.66 1a6j s SER 145 Ca 0.09 -0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.48 1a6j s SER 145 Cb 0.08 0.52 0.39 0.00 0.10 0.00 0.00 66.02 67.12 1a6j s SER 145 CO 0.25 -0.84 1.88 0.44 0.98 0.00 0.00 173.24 175.95 1a6j h ASP 146 N 2.41 1.01 -0.34 7.02 5.19 -1.89 0.12 116.42 129.94 1a6j h ASP 146 Ca -0.33 0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.00 1a6j h ASP 146 Cb 1.26 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 1a6j h ASP 146 CO 0.42 0.65 -0.15 -0.08 -3.12 0.00 0.00 179.24 176.96 1a6j h GLU 147 N 1.15 0.70 -0.29 3.56 4.57 -1.95 0.54 114.58 122.86 1a6j h GLU 147 Ca 0.42 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1a6j h GLU 147 Cb 0.16 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1a6j h GLU 147 CO -0.17 0.90 0.17 1.49 -1.18 0.00 0.00 179.01 180.22 1a6j h GLU 148 N 0.48 0.40 -0.49 1.92 4.81 -1.72 -1.05 114.58 118.92 1a6j h GLU 148 Ca 0.08 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1a6j h GLU 148 Cb 0.68 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1a6j h GLU 148 CO 0.05 0.32 0.25 1.25 -0.73 0.00 0.00 179.01 180.14 1a6j h LEU 149 N 0.37 0.63 0.11 1.64 5.85 -0.70 -1.54 115.31 121.66 1a6j h LEU 149 Ca 0.10 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1a6j h LEU 149 Cb 0.03 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1a6j h LEU 149 CO -0.02 0.57 -0.18 0.22 -0.34 0.00 0.00 178.44 178.69 1a6j h TYR 150 N 0.65 -0.48 -0.80 1.25 3.20 -0.68 -1.90 116.97 118.22 1a6j h TYR 150 Ca 0.17 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.13 1a6j h TYR 150 Cb 0.10 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 1a6j h TYR 150 CO -0.01 -0.27 0.52 1.96 -1.64 0.00 0.00 178.16 178.72 1a6j h GLN 151 N -0.35 0.78 -0.09 1.82 4.20 -0.83 -1.25 115.11 119.39 1a6j h GLN 151 Ca 0.02 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1a6j h GLN 151 Cb 0.37 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1a6j h GLN 151 CO -0.10 0.52 -0.22 0.82 -0.67 0.00 0.00 178.83 179.18 1a6j h ILE 152 N 0.81 1.41 -0.60 2.54 2.04 -1.02 0.19 117.51 122.88 1a6j h ILE 152 Ca 0.35 -1.56 -0.10 0.00 1.00 0.00 0.00 64.86 64.56 1a6j h ILE 152 Cb 0.33 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 1a6j h ILE 152 CO -0.13 0.45 -0.00 -0.29 0.00 0.00 0.00 178.15 178.17 1a6j h ILE 153 N -0.17 1.27 0.00 -0.67 2.10 -1.02 -2.37 117.51 116.65 1a6j h ILE 153 Ca -0.00 -1.15 0.00 0.00 1.08 0.00 0.00 64.86 64.78 1a6j h ILE 153 Cb 0.83 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1a6j h ILE 153 CO 0.05 0.42 0.00 0.35 -1.08 0.00 0.00 178.15 177.89 1a6j n THR 154 N -4.20 0.17 -2.31 2.19 -2.24 -0.50 -4.90 114.28 102.49 1a6j n THR 154 Ca 0.03 0.04 -0.11 0.00 -2.27 0.00 0.00 64.05 61.74 1a6j n THR 154 Cb 0.35 -0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1a6j n THR 154 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a6j n ASP 155 N -1.47 -3.71 -4.08 3.42 2.03 -0.60 -4.62 116.55 107.52 1a6j n ASP 155 Ca 0.07 -0.04 -0.35 0.00 0.52 0.00 0.00 54.79 54.99 1a6j n ASP 155 Cb 0.30 -2.87 -0.08 0.00 -0.72 0.00 0.00 41.12 37.75 1a6j n ASP 155 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1a6j s THR 156 N -2.62 4.08 0.00 5.18 -4.23 0.58 -5.01 115.64 113.62 1a6j s THR 156 Ca 0.03 -3.80 0.00 0.00 -1.18 0.00 0.00 61.69 56.75 1a6j s THR 156 Cb -0.02 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1a6j s THR 156 CO 0.04 -1.05 0.00 -1.84 -0.54 0.00 0.00 174.62 171.23