#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1au7 h MET 6 N 0.00 0.60 -0.68 1.61 0.00 -2.01 -2.58 114.93 111.88 1au7 h MET 6 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 59.70 59.64 1au7 h MET 6 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 31.60 31.43 1au7 h MET 6 CO 0.00 0.40 0.32 -0.09 0.00 0.00 0.00 176.91 177.54 1au7 h ARG 7 N 0.62 0.96 0.00 1.72 2.43 -2.05 0.19 114.38 118.25 1au7 h ARG 7 Ca 0.32 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1au7 h ARG 7 Cb 0.28 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1au7 h ARG 7 CO -0.23 0.74 -0.19 0.00 -1.51 0.00 0.00 179.97 178.78 1au7 h ALA 8 N 1.40 0.88 0.03 2.80 0.00 -1.95 -1.75 119.26 120.67 1au7 h ALA 8 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1au7 h ALA 8 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1au7 h ALA 8 CO -0.03 0.23 -0.01 1.25 0.00 0.00 0.00 179.25 180.68 1au7 h LEU 9 N 0.00 -0.03 0.12 0.00 5.85 -0.99 -2.55 115.31 117.71 1au7 h LEU 9 Ca -0.00 -0.69 0.02 0.00 0.84 0.00 0.00 57.88 58.04 1au7 h LEU 9 Cb 1.14 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1au7 h LEU 9 CO 0.02 0.74 -0.23 -0.33 -0.34 0.00 0.00 178.44 178.31 1au7 h GLU 10 N -0.87 -0.41 -0.71 1.25 5.08 -0.68 0.43 114.58 118.67 1au7 h GLU 10 Ca -0.00 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1au7 h GLU 10 Cb 0.72 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 1au7 h GLU 10 CO 0.01 -0.27 0.31 1.96 -1.00 0.00 0.00 179.01 180.02 1au7 h GLN 11 N -0.43 0.50 0.20 2.33 4.20 -1.44 -1.84 115.11 118.63 1au7 h GLN 11 Ca 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1au7 h GLN 11 Cb 0.45 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1au7 h GLN 11 CO -0.13 0.33 -0.09 0.35 -0.67 0.00 0.00 178.83 178.62 1au7 h PHE 12 N 0.51 -0.25 -0.83 2.96 3.57 -0.96 -1.87 116.94 120.07 1au7 h PHE 12 Ca 0.37 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.03 1au7 h PHE 12 Cb 0.47 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 1au7 h PHE 12 CO -0.14 0.06 0.55 0.00 -2.23 0.00 0.00 178.31 176.55 1au7 h ALA 13 N 0.18 2.09 0.64 2.41 0.00 -0.70 0.36 119.26 124.24 1au7 h ALA 13 Ca -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1au7 h ALA 13 Cb 0.41 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1au7 h ALA 13 CO 0.04 -0.33 -0.31 -0.91 0.00 0.00 0.00 179.25 177.75 1au7 h ASN 14 N 0.46 -0.73 0.34 0.00 2.35 -1.07 -3.05 115.58 113.88 1au7 h ASN 14 Ca 0.42 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 56.08 1au7 h ASN 14 Cb 0.93 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 1au7 h ASN 14 CO -0.15 -0.41 -0.33 -0.33 -1.65 0.00 0.00 177.43 174.56 1au7 h GLU 15 N -1.04 0.00 -0.44 0.81 4.39 -0.47 -2.65 114.58 115.18 1au7 h GLU 15 Ca -0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1au7 h GLU 15 Cb 0.70 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1au7 h GLU 15 CO 0.14 0.33 0.26 0.35 -1.16 0.00 0.00 179.01 178.93 1au7 h PHE 16 N 0.00 0.58 -0.53 4.33 3.57 -0.38 -0.28 116.94 124.23 1au7 h PHE 16 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1au7 h PHE 16 Cb 0.58 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1au7 h PHE 16 CO 0.00 0.42 0.29 -0.22 -2.23 0.00 0.00 178.31 176.56 1au7 h LYS 17 N 0.58 0.74 -0.12 1.11 3.64 -1.37 0.11 116.57 121.26 1au7 h LYS 17 Ca 0.16 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1au7 h LYS 17 Cb 0.01 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 1au7 h LYS 17 CO -0.03 0.58 -0.17 0.28 -2.27 0.00 0.00 179.45 177.84 1au7 h VAL 18 N 0.71 0.56 -0.11 2.00 2.07 -1.10 -2.14 116.25 118.23 1au7 h VAL 18 Ca 0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1au7 h VAL 18 Cb 0.05 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1au7 h VAL 18 CO -0.03 0.00 0.03 0.03 0.02 0.00 0.00 177.57 177.62 1au7 h ARG 19 N -0.22 0.18 -0.57 1.57 3.08 -0.87 -2.52 114.38 115.03 1au7 h ARG 19 Ca 0.09 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.22 1au7 h ARG 19 Cb 0.36 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.29 1au7 h ARG 19 CO -0.25 0.33 0.04 -0.09 -1.07 0.00 0.00 179.97 178.93 1au7 h ARG 20 N -0.01 0.15 0.39 0.04 2.43 -0.59 -0.68 114.38 116.11 1au7 h ARG 20 Ca 0.04 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1au7 h ARG 20 Cb 0.23 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1au7 h ARG 20 CO -0.00 0.10 -0.19 0.82 -1.51 0.00 0.00 179.97 179.19 1au7 h ILE 21 N 0.16 0.48 -1.04 1.20 2.04 -1.43 -1.49 117.51 117.43 1au7 h ILE 21 Ca 0.30 -0.61 0.26 0.00 1.00 0.00 0.00 64.86 65.81 1au7 h ILE 21 Cb 0.46 0.71 -0.10 0.00 -0.74 0.00 0.00 36.82 37.15 1au7 h ILE 21 CO -0.45 0.09 0.66 0.11 0.00 0.00 0.00 178.15 178.56 1au7 h LYS 22 N -0.93 0.42 0.00 2.37 1.57 -1.22 0.12 116.57 118.90 1au7 h LYS 22 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1au7 h LYS 22 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1au7 h LYS 22 CO 0.09 0.28 0.00 1.28 -0.57 0.00 0.00 179.45 180.52 1au7 n LEU 23 N -4.67 0.00 -0.01 2.94 4.32 -0.28 -4.91 117.00 114.39 1au7 n LEU 23 Ca 0.26 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1au7 n LEU 23 Cb 0.85 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.65 1au7 n LEU 23 CO 0.24 0.00 -0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1au7 n GLY 24 N 0.60 0.47 3.87 -0.72 0.00 0.41 -5.04 105.19 104.78 1au7 n GLY 24 Ca 0.08 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1au7 n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1au7 s TYR 25 N -1.98 3.62 0.03 1.61 1.51 -0.57 -5.03 117.35 116.54 1au7 s TYR 25 Ca 0.00 0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 56.77 1au7 s TYR 25 Cb 0.00 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1au7 s TYR 25 CO 0.00 0.61 0.19 0.99 -1.11 0.00 0.00 175.55 176.23 1au7 s THR 26 N -1.24 5.33 0.50 -0.71 2.01 -1.26 -4.44 115.64 115.83 1au7 s THR 26 Ca 0.26 -0.33 0.27 0.00 0.31 0.00 0.00 61.69 62.21 1au7 s THR 26 Cb -0.14 -3.55 0.45 0.00 0.01 0.00 0.00 72.50 69.27 1au7 s THR 26 CO 0.14 0.21 1.88 1.56 -0.69 0.00 0.00 174.62 177.72 1au7 h GLN 27 N 3.39 0.12 -0.02 4.92 4.20 -1.98 0.61 115.11 126.36 1au7 h GLN 27 Ca -0.47 -0.01 -0.25 0.00 0.06 0.00 0.00 58.65 57.99 1au7 h GLN 27 Cb 1.17 -0.03 0.02 0.00 0.30 0.00 0.00 27.48 28.94 1au7 h GLN 27 CO 0.72 0.08 -0.96 1.15 -0.67 0.00 0.00 178.83 179.15 1au7 h THR 28 N 0.12 1.30 -0.15 -0.54 2.02 -1.92 -1.85 112.91 111.89 1au7 h THR 28 Ca 0.44 -2.19 0.01 0.00 0.77 0.00 0.00 66.41 65.44 1au7 h THR 28 Cb 1.56 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 70.32 1au7 h THR 28 CO -0.07 0.68 0.08 0.78 0.37 0.00 0.00 175.52 177.36 1au7 h ASN 29 N 0.35 0.12 0.13 4.18 2.35 -0.25 -0.72 115.58 121.74 1au7 h ASN 29 Ca -0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1au7 h ASN 29 Cb 1.62 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.97 1au7 h ASN 29 CO 0.19 0.09 -0.06 0.58 -1.65 0.00 0.00 177.43 176.58 1au7 h VAL 30 N 0.17 0.90 -0.63 2.81 2.07 -1.10 0.44 116.25 120.91 1au7 h VAL 30 Ca 0.06 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1au7 h VAL 30 Cb 0.00 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1au7 h VAL 30 CO -0.03 0.02 0.42 1.23 0.02 0.00 0.00 177.57 179.23 1au7 h GLY 31 N -0.21 0.72 1.99 2.17 0.00 -1.07 -1.39 103.07 105.27 1au7 h GLY 31 Ca -0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1au7 h GLY 31 CO 0.03 0.15 -0.54 -2.09 0.00 0.00 0.00 176.54 174.09 1au7 h GLU 32 N 0.54 0.00 0.00 4.80 4.81 -0.76 0.40 114.58 124.37 1au7 h GLU 32 Ca 0.28 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1au7 h GLU 32 Cb 0.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1au7 h GLU 32 CO -0.09 0.52 -0.25 0.00 -0.73 0.00 0.00 179.01 178.47 1au7 h ALA 33 N 1.48 0.88 0.00 2.92 0.00 0.17 -3.33 119.26 121.37 1au7 h ALA 33 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1au7 h ALA 33 Cb 1.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1au7 h ALA 33 CO 0.07 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1au7 n LEU 34 N -3.01 0.44 0.08 0.00 4.77 -0.88 -2.14 117.00 116.27 1au7 n LEU 34 Ca 0.03 0.70 0.07 0.00 -0.03 0.00 0.00 56.01 56.78 1au7 n LEU 34 Cb 0.54 -0.75 0.35 0.00 -2.33 0.00 0.00 43.42 41.23 1au7 n LEU 34 CO 0.36 -0.84 0.72 0.00 -1.33 0.00 0.00 177.39 176.29 1au7 n ALA 35 N -1.72 1.23 0.85 -1.18 0.00 -1.16 -0.17 120.51 118.37 1au7 n ALA 35 Ca -0.01 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.65 1au7 n ALA 35 Cb 0.03 -1.22 0.53 0.00 0.00 0.00 0.00 19.45 18.79 1au7 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1au7 n ALA 36 N -1.65 2.34 0.00 0.00 0.00 -0.91 -2.91 120.51 117.37 1au7 n ALA 36 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1au7 n ALA 36 Cb 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1au7 n ALA 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1au7 n VAL 37 N -1.79 0.00 0.06 0.00 0.24 -0.56 -4.88 118.33 111.39 1au7 n VAL 37 Ca 0.06 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.40 1au7 n VAL 37 Cb 0.38 -0.33 -0.05 0.00 -1.47 0.00 0.00 33.84 32.36 1au7 n VAL 37 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1au7 n HIS 38 N -1.66 0.99 -0.09 6.34 -0.00 0.77 -4.94 115.22 116.63 1au7 n HIS 38 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 1au7 n HIS 38 Cb 0.24 -1.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.18 1au7 n HIS 38 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1au7 n GLY 39 N 1.32 1.19 3.49 1.57 0.00 -1.15 -4.98 105.19 106.63 1au7 n GLY 39 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1au7 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1au7 s SER 40 N -2.89 -0.20 0.09 1.61 1.04 -1.26 -4.97 113.70 107.11 1au7 s SER 40 Ca 0.00 -0.55 -0.00 0.00 0.48 0.00 0.00 55.95 55.87 1au7 s SER 40 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1au7 s SER 40 CO 0.00 -1.02 0.25 -1.61 0.98 0.00 0.00 173.24 171.83 1au7 s GLU 41 N -3.89 3.46 0.15 4.02 2.02 -1.26 -3.01 118.70 120.19 1au7 s GLU 41 Ca 0.11 -0.41 0.05 0.00 0.02 0.00 0.00 54.97 54.73 1au7 s GLU 41 Cb -0.00 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 1au7 s GLU 41 CO -0.02 0.57 0.12 -0.06 0.02 0.00 0.00 175.26 175.89 1au7 s PHE 42 N -1.57 3.15 0.74 1.61 0.08 0.13 -5.00 117.98 117.11 1au7 s PHE 42 Ca 0.36 -0.00 -0.09 0.00 0.12 0.00 0.00 56.93 57.31 1au7 s PHE 42 Cb -0.13 -1.53 0.06 0.00 -0.57 0.00 0.00 43.02 40.86 1au7 s PHE 42 CO 0.28 0.52 1.08 -1.54 -0.10 0.00 0.00 175.22 175.46 1au7 s SER 43 N -2.97 4.81 0.21 1.36 1.04 -1.26 -3.95 113.70 112.94 1au7 s SER 43 Ca 0.30 0.67 -0.10 0.00 0.48 0.00 0.00 55.95 57.31 1au7 s SER 43 Cb -0.10 -1.30 0.22 0.00 0.10 0.00 0.00 66.02 64.94 1au7 s SER 43 CO 0.23 -1.66 1.82 -0.61 0.98 0.00 0.00 173.24 174.01 1au7 h GLN 44 N -0.75 0.73 0.08 4.02 -0.00 -1.90 -2.46 115.11 114.83 1au7 h GLN 44 Ca -0.45 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.17 1au7 h GLN 44 Cb 1.31 -0.16 -0.03 0.00 0.00 0.00 0.00 27.48 28.60 1au7 h GLN 44 CO 0.63 0.48 -0.20 1.15 0.00 0.00 0.00 178.83 180.89 1au7 h THR 45 N 0.75 0.54 -0.18 2.39 2.02 -1.93 -0.84 112.91 115.66 1au7 h THR 45 Ca 0.29 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.52 1au7 h THR 45 Cb 0.12 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 1au7 h THR 45 CO -0.15 0.00 -0.26 0.74 0.37 0.00 0.00 175.52 176.22 1au7 h THR 46 N -0.37 0.38 -0.50 3.16 2.02 -1.85 0.31 112.91 116.06 1au7 h THR 46 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1au7 h THR 46 Cb 0.40 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1au7 h THR 46 CO -0.13 0.00 0.33 0.40 0.37 0.00 0.00 175.52 176.49 1au7 h ILE 47 N -0.30 1.13 0.23 3.11 1.08 -1.03 0.71 117.51 122.44 1au7 h ILE 47 Ca 0.12 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1au7 h ILE 47 Cb 0.48 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1au7 h ILE 47 CO -0.35 0.12 -0.11 0.00 -0.69 0.00 0.00 178.15 177.12 1au7 h ARG 49 N -0.57 0.03 -0.22 0.00 3.08 0.68 0.10 114.38 117.49 1au7 h ARG 49 Ca -0.03 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1au7 h ARG 49 Cb 0.42 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1au7 h ARG 49 CO 0.05 0.02 0.07 0.35 -1.07 0.00 0.00 179.97 179.40 1au7 h PHE 50 N 0.03 0.13 -0.68 3.04 3.04 -0.88 0.74 116.94 122.37 1au7 h PHE 50 Ca 0.26 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.19 1au7 h PHE 50 Cb 0.40 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 1au7 h PHE 50 CO -0.41 0.06 0.30 0.93 -2.02 0.00 0.00 178.31 177.17 1au7 h GLU 51 N 0.17 0.98 -0.01 1.11 5.08 -0.62 -1.94 114.58 119.36 1au7 h GLU 51 Ca 0.09 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1au7 h GLU 51 Cb 0.06 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1au7 h GLU 51 CO -0.10 0.78 -0.18 0.09 -1.00 0.00 0.00 179.01 178.60 1au7 n ASN 52 N -4.32 0.86 -3.39 1.42 3.02 0.27 -4.84 115.26 108.28 1au7 n ASN 52 Ca 0.06 -0.83 -0.23 0.00 -0.03 0.00 0.00 54.58 53.55 1au7 n ASN 52 Cb 0.15 0.05 0.07 0.00 -0.61 0.00 0.00 39.78 39.44 1au7 n ASN 52 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1au7 n LEU 53 N -0.70 -3.21 -3.49 3.41 4.77 0.23 -4.91 117.00 113.11 1au7 n LEU 53 Ca 0.14 -0.47 -0.40 0.00 -0.03 0.00 0.00 56.01 55.25 1au7 n LEU 53 Cb 0.32 -2.98 0.02 0.00 -2.33 0.00 0.00 43.42 38.45 1au7 n LEU 53 CO 0.24 0.54 1.61 0.00 -1.33 0.00 0.00 177.39 178.45 1au7 n GLN 54 N -4.69 4.90 -4.08 3.23 1.13 0.26 -4.90 117.38 113.23 1au7 n GLN 54 Ca -0.02 -4.27 -0.13 0.00 -1.94 0.00 0.00 57.00 50.64 1au7 n GLN 54 Cb 0.57 -2.46 -0.05 0.00 0.11 0.00 0.00 30.24 28.41 1au7 n GLN 54 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1au7 s LEU 55 N -3.90 0.88 0.75 1.08 1.43 -1.26 -4.83 118.68 112.83 1au7 s LEU 55 Ca 0.44 -1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.07 1au7 s LEU 55 Cb 0.23 1.42 0.04 0.00 0.03 0.00 0.00 46.19 47.91 1au7 s LEU 55 CO -0.16 -1.22 1.08 -0.94 0.23 0.00 0.00 176.35 175.34 1au7 s SER 56 N -3.18 4.88 0.16 2.29 1.04 -1.26 -4.83 113.70 112.79 1au7 s SER 56 Ca 0.30 1.45 -0.15 0.00 0.48 0.00 0.00 55.95 58.02 1au7 s SER 56 Cb 0.00 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.91 1au7 s SER 56 CO 0.17 -1.74 1.77 0.15 0.98 0.00 0.00 173.24 174.57 1au7 h PHE 57 N -0.93 0.63 -0.11 5.02 3.57 -1.99 -0.51 116.94 122.63 1au7 h PHE 57 Ca -0.46 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.06 1au7 h PHE 57 Cb 1.24 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1au7 h PHE 57 CO 0.53 0.46 -0.08 0.87 -2.23 0.00 0.00 178.31 177.86 1au7 h LYS 58 N 0.62 -0.09 0.14 1.11 1.57 -2.00 -1.30 116.57 116.62 1au7 h LYS 58 Ca 0.17 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1au7 h LYS 58 Cb 0.03 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1au7 h LYS 58 CO -0.03 -0.06 -0.07 -0.97 -0.57 0.00 0.00 179.45 177.76 1au7 h ASN 59 N -0.09 -0.15 -0.96 0.86 -0.00 -1.86 -2.23 115.58 111.15 1au7 h ASN 59 Ca 0.07 -0.09 0.07 0.00 -0.00 0.00 0.00 56.30 56.35 1au7 h ASN 59 Cb 0.19 0.04 -0.07 0.00 -0.00 0.00 0.00 38.32 38.49 1au7 h ASN 59 CO -0.16 -0.01 0.62 0.00 -0.00 0.00 0.00 177.43 177.87 1au7 h ALA 60 N 0.56 1.34 -0.55 1.57 0.00 -1.02 -2.02 119.26 119.14 1au7 h ALA 60 Ca -0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1au7 h ALA 60 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1au7 h ALA 60 CO 0.03 0.38 -0.10 0.00 0.00 0.00 0.00 179.25 179.56 1au7 h LYS 62 N 0.93 0.07 -0.63 0.00 1.57 -0.76 -2.65 116.57 115.09 1au7 h LYS 62 Ca 0.14 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1au7 h LYS 62 Cb 0.67 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1au7 h LYS 62 CO 0.05 0.05 0.28 -0.07 -0.57 0.00 0.00 179.45 179.18 1au7 h LEU 63 N 0.07 0.84 -1.73 2.94 3.38 -1.21 -1.75 115.31 117.84 1au7 h LEU 63 Ca 0.10 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1au7 h LEU 63 Cb 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1au7 h LEU 63 CO -0.18 0.75 0.57 0.50 0.09 0.00 0.00 178.44 180.17 1au7 h LYS 64 N 0.87 0.00 0.00 1.13 3.64 -0.54 0.11 116.57 121.77 1au7 h LYS 64 Ca 0.21 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1au7 h LYS 64 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1au7 h LYS 64 CO -0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 179.45 176.86 1au7 h ALA 65 N 1.23 0.05 -0.01 5.00 0.00 -1.18 -2.96 119.26 121.39 1au7 h ALA 65 Ca 0.18 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1au7 h ALA 65 Cb 1.31 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1au7 h ALA 65 CO -0.00 0.19 -0.42 0.82 0.00 0.00 0.00 179.25 179.83 1au7 h ILE 66 N -1.00 0.15 -0.05 0.00 1.08 -0.99 -1.74 117.51 114.96 1au7 h ILE 66 Ca -0.07 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.41 1au7 h ILE 66 Cb 0.79 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1au7 h ILE 66 CO -0.04 0.00 0.04 -0.07 -0.69 0.00 0.00 178.15 177.39 1au7 h LEU 67 N -0.57 0.00 -0.10 1.44 3.38 -1.03 -0.33 115.31 118.10 1au7 h LEU 67 Ca 0.05 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 1au7 h LEU 67 Cb 0.65 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.41 1au7 h LEU 67 CO -0.32 0.00 -1.00 -1.28 0.09 0.00 0.00 178.44 175.93 1au7 h SER 68 N 0.00 0.62 0.46 -0.43 0.87 -1.18 -1.90 113.55 111.97 1au7 h SER 68 Ca 0.02 -0.51 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 1au7 h SER 68 Cb 0.11 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1au7 h SER 68 CO -0.00 1.31 -0.28 0.50 -0.53 0.00 0.00 176.83 177.84 1au7 h LYS 69 N 0.25 -0.67 -0.29 2.24 3.64 -0.24 -2.58 116.57 118.93 1au7 h LYS 69 Ca -0.10 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1au7 h LYS 69 Cb 1.65 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 33.55 1au7 h LYS 69 CO 0.18 -0.45 -0.17 2.35 -2.27 0.00 0.00 179.45 179.09 1au7 h TRP 70 N -0.69 -0.43 0.09 1.91 7.01 -1.46 -2.61 115.95 119.76 1au7 h TRP 70 Ca -0.05 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.00 1au7 h TRP 70 Cb 0.57 0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 27.81 1au7 h TRP 70 CO -0.09 -0.25 -0.50 1.25 -2.79 0.00 0.00 178.44 176.07 1au7 h LEU 71 N -0.14 -1.50 -1.98 0.65 5.85 -1.10 0.37 115.31 117.47 1au7 h LEU 71 Ca 0.15 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1au7 h LEU 71 Cb 0.38 0.56 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1au7 h LEU 71 CO -0.37 -0.53 -0.01 -0.08 -0.34 0.00 0.00 178.44 177.11 1au7 h GLU 72 N -0.70 0.00 -0.17 1.25 4.81 -1.35 0.42 114.58 118.83 1au7 h GLU 72 Ca 0.01 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1au7 h GLU 72 Cb 0.73 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1au7 h GLU 72 CO -0.30 0.01 -0.23 1.49 -0.73 0.00 0.00 179.01 179.25 1au7 h GLU 73 N 0.00 0.46 0.00 1.92 4.81 -0.84 -3.52 114.58 117.41 1au7 h GLU 73 Ca -0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1au7 h GLU 73 Cb 0.34 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1au7 h GLU 73 CO 0.00 0.85 0.00 0.00 -0.73 0.00 0.00 179.01 179.13 1au7 n ALA 74 N -2.46 0.00 -0.99 2.92 0.00 0.12 -5.10 120.51 115.00 1au7 n ALA 74 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 1au7 n ALA 74 Cb 0.43 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.92 1au7 n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1au7 n LYS 103 N 0.00 -0.03 -3.20 0.00 5.02 -1.26 -5.00 118.16 113.69 1au7 n LYS 103 Ca 0.00 -0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 1au7 n LYS 103 Cb 0.00 -1.03 -0.07 0.00 -0.02 0.00 0.00 35.03 33.91 1au7 n LYS 103 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1au7 s ARG 104 N -2.06 3.17 0.07 1.97 0.52 -1.26 -4.99 118.95 116.36 1au7 s ARG 104 Ca 0.39 -0.66 -0.37 0.00 -0.52 0.00 0.00 55.73 54.58 1au7 s ARG 104 Cb -0.09 -3.99 -0.18 0.00 0.52 0.00 0.00 34.95 31.20 1au7 s ARG 104 CO 0.77 -1.00 1.06 0.54 0.02 0.00 0.00 175.30 176.69 1au7 n ARG 105 N 5.98 0.38 -3.89 3.54 1.74 -1.26 -4.98 116.66 118.17 1au7 n ARG 105 Ca -0.05 0.14 -0.35 0.00 -0.77 0.00 0.00 57.85 56.82 1au7 n ARG 105 Cb 0.47 -1.60 -0.09 0.00 -1.02 0.00 0.00 32.46 30.22 1au7 n ARG 105 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1au7 s THR 106 N -0.07 4.98 -0.22 0.55 2.01 -1.26 -5.07 115.64 116.56 1au7 s THR 106 Ca 0.84 0.04 -0.14 0.00 0.31 0.00 0.00 61.69 62.73 1au7 s THR 106 Cb -1.11 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1au7 s THR 106 CO 0.54 0.44 0.34 0.42 -0.69 0.00 0.00 174.62 175.66 1au7 s THR 107 N 0.51 5.24 -0.23 -0.82 -4.23 -1.26 -5.05 115.64 109.80 1au7 s THR 107 Ca 0.05 0.56 -0.13 0.00 -1.18 0.00 0.00 61.69 60.99 1au7 s THR 107 Cb -0.12 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 1au7 s THR 107 CO 0.00 0.26 0.27 -0.63 -0.54 0.00 0.00 174.62 173.99 1au7 s ILE 108 N 1.34 5.28 0.94 2.99 -1.09 -1.26 -5.06 121.20 124.34 1au7 s ILE 108 Ca 0.16 0.42 -0.11 0.00 -2.23 0.00 0.00 60.65 58.89 1au7 s ILE 108 Cb -0.15 -3.61 0.12 0.00 -1.58 0.00 0.00 42.46 37.25 1au7 s ILE 108 CO 0.07 0.29 0.92 -1.54 -1.23 0.00 0.00 174.94 173.45 1au7 n SER 109 N 4.44 -0.45 -0.81 3.58 3.41 -1.26 -4.62 113.62 117.91 1au7 n SER 109 Ca -0.12 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1au7 n SER 109 Cb 0.52 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 1au7 n SER 109 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1au7 n ILE 110 N -4.09 0.58 0.00 -1.33 5.41 -1.26 -0.32 119.36 118.34 1au7 n ILE 110 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1au7 n ILE 110 Cb 0.53 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 1au7 n ILE 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1au7 n ALA 111 N 0.34 2.38 -0.03 -1.39 0.00 -1.26 -4.66 120.51 115.89 1au7 n ALA 111 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1au7 n ALA 111 Cb 0.38 0.31 -0.09 0.00 0.00 0.00 0.00 19.45 20.05 1au7 n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1au7 h ALA 112 N 0.00 0.09 -0.11 0.00 0.00 -1.61 -3.10 119.26 114.52 1au7 h ALA 112 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1au7 h ALA 112 Cb 0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1au7 h ALA 112 CO 0.00 -0.09 -0.04 -0.22 0.00 0.00 0.00 179.25 178.89 1au7 h LYS 113 N -0.30 -0.02 -0.63 0.00 1.63 -0.93 0.49 116.57 116.81 1au7 h LYS 113 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1au7 h LYS 113 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1au7 h LYS 113 CO 0.02 -0.01 0.00 -0.40 -3.45 0.00 0.00 179.45 175.60 1au7 n ASP 114 N -5.17 2.31 0.00 4.20 5.68 -1.26 -1.87 116.55 120.45 1au7 n ASP 114 Ca -0.04 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 1au7 n ASP 114 Cb 0.10 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1au7 n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1au7 n ALA 115 N 0.27 1.90 -0.01 2.12 0.00 -0.71 -4.00 120.51 120.08 1au7 n ALA 115 Ca 0.10 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 1au7 n ALA 115 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.78 1au7 n ALA 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1au7 n LEU 116 N -0.80 2.59 0.27 0.00 4.77 0.08 -3.46 117.00 120.44 1au7 n LEU 116 Ca 0.00 0.19 0.13 0.00 -0.03 0.00 0.00 56.01 56.30 1au7 n LEU 116 Cb 0.00 -1.05 0.74 0.00 -2.33 0.00 0.00 43.42 40.78 1au7 n LEU 116 CO 0.00 0.84 0.98 -0.08 -1.33 0.00 0.00 177.39 177.81 1au7 h GLU 117 N 0.06 0.00 0.00 3.23 4.57 -1.59 0.10 114.58 120.96 1au7 h GLU 117 Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1au7 h GLU 117 Cb 2.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.62 1au7 h GLU 117 CO 0.07 0.11 -0.42 -0.09 -1.18 0.00 0.00 179.01 177.51 1au7 h ARG 118 N 0.00 0.00 0.00 1.92 9.65 -1.69 -3.11 114.38 121.14 1au7 h ARG 118 Ca -0.00 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.69 1au7 h ARG 118 Cb 0.34 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 1au7 h ARG 118 CO 0.01 0.00 -1.35 0.45 2.80 0.00 0.00 179.97 181.89 1au7 h HIS 119 N 0.00 0.00 -0.06 2.20 3.86 -1.10 -3.34 115.15 116.71 1au7 h HIS 119 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1au7 h HIS 119 Cb 1.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 1au7 h HIS 119 CO 0.00 0.69 -0.04 0.35 0.86 0.00 0.00 177.93 179.79 1au7 h PHE 120 N 0.00 0.15 -0.64 2.45 3.57 -0.91 -2.00 116.94 119.56 1au7 h PHE 120 Ca -0.16 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.37 1au7 h PHE 120 Cb 1.67 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 40.34 1au7 h PHE 120 CO 0.00 0.54 0.42 0.78 -2.23 0.00 0.00 178.31 177.82 1au7 h GLY 121 N -0.29 0.77 0.72 2.40 0.00 -1.70 -2.11 103.07 102.85 1au7 h GLY 121 Ca 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1au7 h GLY 121 CO 0.01 0.17 -0.24 0.83 0.00 0.00 0.00 176.54 177.31 1au7 h GLU 122 N 0.60 -0.66 -2.91 4.80 4.39 -1.66 -3.44 114.58 115.70 1au7 h GLU 122 Ca 0.28 0.04 -0.20 0.00 0.34 0.00 0.00 59.36 59.82 1au7 h GLU 122 Cb 0.33 0.15 -0.31 0.00 -0.10 0.00 0.00 28.75 28.82 1au7 h GLU 122 CO -0.09 -0.35 -0.50 -1.01 -1.16 0.00 0.00 179.01 175.90 1au7 s HIS 123 N -4.78 -0.40 -0.74 4.33 3.76 -0.76 -5.04 115.29 111.65 1au7 s HIS 123 Ca -0.14 0.92 0.10 0.00 -0.15 0.00 0.00 55.06 55.79 1au7 s HIS 123 Cb 0.02 0.01 0.52 0.00 1.11 0.00 0.00 32.58 34.24 1au7 s HIS 123 CO 0.50 -0.31 1.32 -1.13 -0.85 0.00 0.00 174.74 174.27 1au7 n SER 124 N 4.87 3.87 -2.85 1.40 3.41 -0.85 -4.05 113.62 119.43 1au7 n SER 124 Ca -0.14 -2.51 -0.10 0.00 -0.26 0.00 0.00 58.87 55.86 1au7 n SER 124 Cb 0.51 -0.58 0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1au7 n SER 124 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1au7 n LYS 125 N 0.49 0.64 -2.01 4.33 4.01 -1.26 -4.96 118.16 119.40 1au7 n LYS 125 Ca 0.18 -2.10 -0.33 0.00 -0.51 0.00 0.00 58.31 55.54 1au7 n LYS 125 Cb 0.80 -1.46 0.02 0.00 -0.51 0.00 0.00 35.03 33.88 1au7 n LYS 125 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 1au7 s PRO 126 N 0.53 3.18 0.51 1.97 0.02 -1.26 -5.03 135.00 134.93 1au7 s PRO 126 Ca 0.32 1.32 -0.01 0.00 0.02 0.00 0.00 61.00 62.64 1au7 s PRO 126 Cb 0.12 -2.01 0.01 0.00 0.02 0.00 0.00 34.50 32.65 1au7 s PRO 126 CO -0.16 -0.93 0.76 -1.12 -0.33 0.00 0.00 177.00 175.22 1au7 s SER 127 N -2.56 5.63 0.21 2.53 0.01 -1.26 -4.83 113.70 113.44 1au7 s SER 127 Ca 0.66 0.35 -0.01 0.00 1.31 0.00 0.00 55.95 58.26 1au7 s SER 127 Cb -0.18 -1.45 0.46 0.00 0.21 0.00 0.00 66.02 65.06 1au7 s SER 127 CO 0.36 -0.91 1.11 -0.24 0.41 0.00 0.00 173.24 173.98 1au7 n SER 128 N -2.29 -0.15 -0.16 2.44 2.88 -1.26 -1.17 113.62 113.90 1au7 n SER 128 Ca 0.04 1.21 -0.11 0.00 -1.33 0.00 0.00 58.87 58.68 1au7 n SER 128 Cb 0.58 -0.41 -0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1au7 n SER 128 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1au7 h GLN 129 N 0.00 0.93 -0.48 -1.46 4.15 -2.00 -3.01 115.11 113.25 1au7 h GLN 129 Ca 0.40 -0.37 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 1au7 h GLN 129 Cb 0.74 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1au7 h GLN 129 CO -0.69 1.03 -0.07 1.49 -1.93 0.00 0.00 178.83 178.66 1au7 h GLU 130 N 0.78 0.89 -0.26 1.69 4.57 -1.52 -0.26 114.58 120.47 1au7 h GLU 130 Ca 0.12 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 1au7 h GLU 130 Cb 0.70 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1au7 h GLU 130 CO 0.05 0.96 0.09 0.82 -1.18 0.00 0.00 179.01 179.75 1au7 h ILE 131 N 0.74 1.11 -0.27 2.32 2.04 -1.53 0.17 117.51 122.09 1au7 h ILE 131 Ca 0.13 -0.36 -0.18 0.00 1.00 0.00 0.00 64.86 65.45 1au7 h ILE 131 Cb 0.60 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1au7 h ILE 131 CO 0.04 0.13 -0.52 -0.03 0.00 0.00 0.00 178.15 177.77 1au7 h MET 132 N 0.36 0.83 -0.45 2.37 4.05 -1.26 -1.66 114.93 119.17 1au7 h MET 132 Ca 0.09 -0.53 -0.05 0.00 -0.28 0.00 0.00 59.70 58.93 1au7 h MET 132 Cb 0.09 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 1au7 h MET 132 CO -0.01 1.17 0.10 0.00 0.23 0.00 0.00 176.91 178.40 1au7 h ARG 133 N 0.60 0.73 -0.47 0.39 3.08 -0.19 -1.54 114.38 116.98 1au7 h ARG 133 Ca 0.01 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 1au7 h ARG 133 Cb 1.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1au7 h ARG 133 CO 0.12 0.74 0.20 0.52 -1.07 0.00 0.00 179.97 180.47 1au7 h MET 134 N 0.61 0.69 -0.48 0.04 2.86 -0.72 -0.75 114.93 117.18 1au7 h MET 134 Ca 0.14 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1au7 h MET 134 Cb 0.34 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1au7 h MET 134 CO 0.00 0.61 0.26 0.00 1.06 0.00 0.00 176.91 178.85 1au7 h ALA 135 N 1.04 0.61 -0.09 6.32 0.00 -1.22 -0.50 119.26 125.43 1au7 h ALA 135 Ca 0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1au7 h ALA 135 Cb 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1au7 h ALA 135 CO -0.01 -0.08 -0.08 0.93 0.00 0.00 0.00 179.25 180.01 1au7 h GLU 136 N 0.51 -0.10 0.00 0.00 5.08 -0.72 0.47 114.58 119.81 1au7 h GLU 136 Ca 0.21 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1au7 h GLU 136 Cb 0.08 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1au7 h GLU 136 CO -0.13 -0.07 -0.37 1.05 -1.00 0.00 0.00 179.01 178.50 1au7 h GLU 137 N -0.10 0.00 -0.64 2.33 4.11 -0.93 -2.68 114.58 116.66 1au7 h GLU 137 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1au7 h GLU 137 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1au7 h GLU 137 CO -0.15 0.37 0.00 1.28 0.07 0.00 0.00 179.01 180.58 1au7 n LEU 138 N -3.74 3.64 -4.15 3.06 4.77 -0.22 -4.97 117.00 115.39 1au7 n LEU 138 Ca -0.01 -1.78 -0.35 0.00 -0.03 0.00 0.00 56.01 53.84 1au7 n LEU 138 Cb 0.45 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1au7 n LEU 138 CO 0.37 0.89 -0.10 -3.20 -1.33 0.00 0.00 177.39 174.02 1au7 n ASN 139 N 1.50 -2.29 -4.90 -1.43 5.15 0.15 -4.93 115.26 108.51 1au7 n ASN 139 Ca 0.23 -0.93 -0.26 0.00 -0.60 0.00 0.00 54.58 53.02 1au7 n ASN 139 Cb 0.58 -1.96 -0.01 0.00 -0.53 0.00 0.00 39.78 37.87 1au7 n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1au7 s LEU 140 N -6.95 2.73 -0.17 1.20 1.43 -0.60 -5.03 118.68 111.28 1au7 s LEU 140 Ca 0.69 -1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1au7 s LEU 140 Cb -0.39 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1au7 s LEU 140 CO 0.85 -1.10 0.21 -1.83 0.23 0.00 0.00 176.35 174.71 1au7 s GLU 141 N -4.28 4.17 0.14 1.70 -1.05 -1.26 -4.55 118.70 113.57 1au7 s GLU 141 Ca 0.35 -0.07 0.02 0.00 -0.15 0.00 0.00 54.97 55.12 1au7 s GLU 141 Cb -0.02 -3.41 0.36 0.00 -0.44 0.00 0.00 34.13 30.63 1au7 s GLU 141 CO 0.22 0.31 0.70 1.17 0.95 0.00 0.00 175.26 178.60 1au7 n LYS 142 N 3.42 -0.03 0.20 -4.83 0.00 -1.26 -0.50 118.16 115.16 1au7 n LYS 142 Ca -0.14 0.66 0.05 0.00 0.00 0.00 0.00 58.31 58.88 1au7 n LYS 142 Cb 0.52 -1.07 0.44 0.00 0.00 0.00 0.00 35.03 34.93 1au7 n LYS 142 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1au7 h GLU 143 N 0.00 0.00 0.08 1.64 4.39 -1.95 -1.10 114.58 117.63 1au7 h GLU 143 Ca 0.28 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.70 1au7 h GLU 143 Cb 0.60 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1au7 h GLU 143 CO -0.41 0.31 -1.16 -0.39 -1.16 0.00 0.00 179.01 176.20 1au7 h VAL 144 N 0.00 1.32 -0.47 3.13 -1.51 -1.20 -1.87 116.25 115.65 1au7 h VAL 144 Ca -0.00 -2.47 -0.05 0.00 -1.23 0.00 0.00 66.70 62.94 1au7 h VAL 144 Cb 0.61 2.61 -0.02 0.00 -2.13 0.00 0.00 31.29 32.36 1au7 h VAL 144 CO 0.04 0.75 0.08 0.58 -1.23 0.00 0.00 177.57 177.79 1au7 h VAL 145 N 0.27 1.25 0.54 7.19 2.07 -1.51 -0.67 116.25 125.39 1au7 h VAL 145 Ca -0.15 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1au7 h VAL 145 Cb 1.82 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1au7 h VAL 145 CO 0.22 0.32 -0.29 -0.09 0.02 0.00 0.00 177.57 177.74 1au7 h ARG 146 N 0.64 -0.74 0.00 1.57 2.43 -1.18 -1.82 114.38 115.28 1au7 h ARG 146 Ca 0.14 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1au7 h ARG 146 Cb 0.38 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1au7 h ARG 146 CO 0.01 -0.50 -0.09 0.28 -1.51 0.00 0.00 179.97 178.16 1au7 h VAL 147 N -0.77 0.77 -0.14 0.20 2.07 -1.24 -1.90 116.25 115.23 1au7 h VAL 147 Ca -0.07 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1au7 h VAL 147 Cb 0.61 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1au7 h VAL 147 CO 0.10 0.09 0.02 -0.25 0.02 0.00 0.00 177.57 177.55 1au7 h TRP 148 N 0.00 0.25 -0.52 1.57 7.01 -0.62 -1.32 115.95 122.31 1au7 h TRP 148 Ca -0.00 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.99 1au7 h TRP 148 Cb 0.21 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 1au7 h TRP 148 CO 0.00 0.42 0.31 0.74 -2.79 0.00 0.00 178.44 177.13 1au7 h PHE 149 N -0.00 0.58 -0.91 2.65 -1.00 -0.82 0.29 116.94 117.74 1au7 h PHE 149 Ca 0.04 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.85 1au7 h PHE 149 Cb 0.31 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 1au7 h PHE 149 CO 0.02 0.34 0.60 0.00 -1.61 0.00 0.00 178.31 177.65 1au7 h ASN 151 N 1.23 0.87 -0.51 0.00 2.35 -0.42 -2.61 115.58 116.50 1au7 h ASN 151 Ca 0.33 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1au7 h ASN 151 Cb -0.14 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 37.97 1au7 h ASN 151 CO -0.07 1.02 0.34 -0.09 -1.65 0.00 0.00 177.43 176.98 1au7 h ARG 152 N 0.71 0.60 -0.21 0.81 9.65 -0.11 -2.16 114.38 123.66 1au7 h ARG 152 Ca 0.12 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.90 1au7 h ARG 152 Cb 0.63 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1au7 h ARG 152 CO 0.04 0.40 -0.10 0.00 2.80 0.00 0.00 179.97 183.11 1au7 h ARG 153 N 0.62 0.44 -1.00 0.20 3.08 -1.24 -2.80 114.38 113.67 1au7 h ARG 153 Ca 0.20 -0.19 0.11 0.00 0.07 0.00 0.00 59.98 60.17 1au7 h ARG 153 Cb 0.04 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 1au7 h ARG 153 CO -0.05 0.72 0.63 1.96 -1.07 0.00 0.00 179.97 182.16 1au7 h GLN 154 N 0.15 1.00 -0.43 0.04 4.20 -1.03 -1.56 115.11 117.48 1au7 h GLN 154 Ca 0.05 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.78 1au7 h GLN 154 Cb 0.58 -0.23 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 1au7 h GLN 154 CO 0.03 0.66 0.01 -0.09 -0.67 0.00 0.00 178.83 178.77 1au7 h ARG 155 N 1.03 0.11 -0.72 1.46 2.43 -1.15 -1.73 114.38 115.81 1au7 h ARG 155 Ca 0.48 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.74 1au7 h ARG 155 Cb 0.42 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 1au7 h ARG 155 CO -0.25 0.07 0.47 0.93 -1.51 0.00 0.00 179.97 179.69 1au7 h GLU 156 N 0.12 0.62 -0.00 0.20 4.39 -1.15 -2.32 114.58 116.44 1au7 h GLU 156 Ca 0.21 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1au7 h GLU 156 Cb 0.30 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1au7 h GLU 156 CO -0.35 0.41 -0.00 1.63 -1.16 0.00 0.00 179.01 179.54 1au7 n LYS 157 N -4.49 1.01 -2.66 2.33 5.02 -0.66 -4.93 118.16 113.79 1au7 n LYS 157 Ca 0.12 -0.08 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 1au7 n LYS 157 Cb 0.32 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 1au7 n LYS 157 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1au7 s ARG 158 N -2.04 4.17 0.00 1.97 0.52 -0.87 -5.02 118.95 117.68 1au7 s ARG 158 Ca 0.46 1.34 0.00 0.00 -0.52 0.00 0.00 55.73 57.01 1au7 s ARG 158 Cb 0.22 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1au7 s ARG 158 CO 0.37 -0.10 0.76 0.28 0.02 0.00 0.00 175.30 176.63 1au7 n VAL 159 N -0.32 0.00 0.87 3.52 0.31 -1.26 -5.10 118.33 116.35 1au7 n VAL 159 Ca 0.06 1.26 0.10 0.00 -0.01 0.00 0.00 64.34 65.75 1au7 n VAL 159 Cb 0.52 -2.17 0.09 0.00 -0.91 0.00 0.00 33.84 31.36 1au7 n VAL 159 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80