#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 0.00 -0.55 1.61 -1.53 -2.03 -2.67 114.93 109.76 1au7 h MET 6 Ca 0.00 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.28 1au7 h MET 6 Cb 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.01 1au7 h MET 6 CO 0.00 0.16 0.33 -0.09 0.14 0.00 0.00 176.91 177.45 1au7 h ARG 7 N 0.00 0.65 -0.16 0.39 2.43 -2.05 0.22 114.38 115.86 1au7 h ARG 7 Ca -0.00 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 1au7 h ARG 7 Cb 0.38 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1au7 h ARG 7 CO 0.02 0.43 -0.41 0.00 -1.51 0.00 0.00 179.97 178.50 1au7 h ALA 8 N 1.24 1.01 0.31 2.80 0.00 -1.92 -1.88 119.26 120.81 1au7 h ALA 8 Ca 0.22 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1au7 h ALA 8 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1au7 h ALA 8 CO -0.09 0.61 -0.15 1.25 0.00 0.00 0.00 179.25 180.87 1au7 h LEU 9 N 0.30 -0.35 -0.66 0.00 5.85 -1.03 -2.03 115.31 117.39 1au7 h LEU 9 Ca 0.03 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1au7 h LEU 9 Cb 0.85 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1au7 h LEU 9 CO 0.07 -0.13 0.39 -0.33 -0.34 0.00 0.00 178.44 178.09 1au7 h GLU 10 N -0.56 0.72 -0.26 1.25 5.08 -0.49 -2.39 114.58 117.94 1au7 h GLU 10 Ca -0.04 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1au7 h GLU 10 Cb 0.41 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1au7 h GLU 10 CO 0.07 0.48 -0.29 1.96 -1.00 0.00 0.00 179.01 180.23 1au7 h GLN 11 N 0.74 0.54 -0.23 2.33 4.20 -1.32 -3.01 115.11 118.36 1au7 h GLN 11 Ca 0.28 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1au7 h GLN 11 Cb 0.10 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1au7 h GLN 11 CO -0.14 0.77 -0.07 0.35 -0.67 0.00 0.00 178.83 179.07 1au7 h PHE 12 N 0.47 0.51 -0.55 2.96 3.57 -0.94 -1.17 116.94 121.78 1au7 h PHE 12 Ca 0.06 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.52 1au7 h PHE 12 Cb 0.74 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.30 1au7 h PHE 12 CO 0.03 0.69 0.23 0.00 -2.23 0.00 0.00 178.31 177.03 1au7 h ALA 13 N 0.74 0.71 0.22 2.41 0.00 -1.48 0.26 119.26 122.12 1au7 h ALA 13 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1au7 h ALA 13 Cb 0.54 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1au7 h ALA 13 CO 0.03 -0.17 -0.21 -0.91 0.00 0.00 0.00 179.25 177.99 1au7 h ASN 14 N 0.43 -0.55 0.68 0.00 2.35 -1.37 -2.02 115.58 115.09 1au7 h ASN 14 Ca 0.27 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1au7 h ASN 14 Cb 0.28 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1au7 h ASN 14 CO -0.25 -0.31 0.00 1.21 -1.65 0.00 0.00 177.43 176.43 1au7 n GLU 15 N -5.33 0.15 0.01 0.81 4.07 -0.46 -2.24 120.64 117.65 1au7 n GLU 15 Ca -0.08 0.38 -0.18 0.00 -0.06 0.00 0.00 57.16 57.22 1au7 n GLU 15 Cb 0.24 -1.79 -0.10 0.00 -0.06 0.00 0.00 31.44 29.73 1au7 n GLU 15 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1au7 h PHE 16 N 0.00 0.74 -0.62 4.31 3.57 0.21 -2.72 116.94 122.44 1au7 h PHE 16 Ca 0.00 -0.39 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1au7 h PHE 16 Cb 0.34 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1au7 h PHE 16 CO 0.00 1.21 0.31 -0.22 -2.23 0.00 0.00 178.31 177.38 1au7 h LYS 17 N 0.06 0.88 -0.44 1.11 3.64 -0.97 -1.87 116.57 118.98 1au7 h LYS 17 Ca -0.08 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.05 1au7 h LYS 17 Cb 1.39 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1au7 h LYS 17 CO 0.14 0.69 -0.22 0.28 -2.27 0.00 0.00 179.45 178.07 1au7 h VAL 18 N 0.84 1.27 0.00 2.00 2.07 -1.59 -2.73 116.25 118.12 1au7 h VAL 18 Ca 0.21 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1au7 h VAL 18 Cb 0.09 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1au7 h VAL 18 CO -0.03 0.47 -0.07 0.03 0.02 0.00 0.00 177.57 177.98 1au7 h ARG 19 N 0.77 0.00 0.55 1.57 3.08 -1.48 -1.81 114.38 117.06 1au7 h ARG 19 Ca 0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1au7 h ARG 19 Cb 0.80 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.85 1au7 h ARG 19 CO 0.07 0.07 -0.27 -0.09 -1.07 0.00 0.00 179.97 178.68 1au7 h ARG 20 N 0.00 -0.72 -0.21 0.04 2.43 -1.22 -2.83 114.38 111.87 1au7 h ARG 20 Ca -0.00 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1au7 h ARG 20 Cb 0.87 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1au7 h ARG 20 CO 0.01 -0.44 0.10 0.82 -1.51 0.00 0.00 179.97 178.95 1au7 h ILE 21 N -1.15 0.99 0.00 1.20 2.04 -1.51 -1.12 117.51 117.97 1au7 h ILE 21 Ca -0.08 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1au7 h ILE 21 Cb 0.61 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1au7 h ILE 21 CO 0.13 0.04 0.00 0.11 0.00 0.00 0.00 178.15 178.43 1au7 h LYS 22 N 0.22 0.00 0.13 2.37 6.56 -1.41 -2.75 116.57 121.70 1au7 h LYS 22 Ca 0.09 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.33 1au7 h LYS 22 Cb 0.03 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 1au7 h LYS 22 CO -0.06 0.00 -1.88 -0.07 -2.06 0.00 0.00 179.45 175.38 1au7 h LEU 23 N 0.00 0.45 0.00 2.94 3.38 -1.15 -3.49 115.31 117.43 1au7 h LEU 23 Ca 0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1au7 h LEU 23 Cb 0.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1au7 h LEU 23 CO 0.00 1.82 0.00 0.61 0.09 0.00 0.00 178.44 180.96 1au7 n GLY 24 N 1.93 0.45 3.93 0.83 0.00 -0.48 -5.11 105.19 106.73 1au7 n GLY 24 Ca -0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.08 3.45 0.41 1.61 1.51 -0.87 -5.01 117.35 117.37 1au7 s TYR 25 Ca 0.00 0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.25 1au7 s TYR 25 Cb 0.00 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 1au7 s TYR 25 CO 0.00 0.53 0.25 0.95 -1.11 0.00 0.00 175.55 176.16 1au7 s THR 26 N -1.71 2.46 0.51 -0.71 -4.23 -1.26 -4.20 115.64 106.50 1au7 s THR 26 Ca 0.34 -1.57 0.16 0.00 -1.18 0.00 0.00 61.69 59.44 1au7 s THR 26 Cb -0.11 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 71.01 1au7 s THR 26 CO 0.28 -0.01 2.13 1.56 -0.54 0.00 0.00 174.62 178.04 1au7 h GLN 27 N 1.29 0.07 -0.31 3.99 4.20 -1.98 -0.83 115.11 121.53 1au7 h GLN 27 Ca -0.42 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.18 1au7 h GLN 27 Cb 1.26 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 1au7 h GLN 27 CO 0.65 0.04 -0.23 1.15 -0.67 0.00 0.00 178.83 179.78 1au7 h THR 28 N 0.07 1.30 -0.26 -0.54 2.02 -1.93 -3.01 112.91 110.55 1au7 h THR 28 Ca 0.04 -1.37 -0.10 0.00 0.77 0.00 0.00 66.41 65.75 1au7 h THR 28 Cb 0.07 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1au7 h THR 28 CO -0.01 0.44 -0.28 0.78 0.37 0.00 0.00 175.52 176.83 1au7 h ASN 29 N 0.45 0.53 -0.18 4.18 2.35 -1.57 -2.79 115.58 118.56 1au7 h ASN 29 Ca 0.06 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1au7 h ASN 29 Cb 0.78 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 1au7 h ASN 29 CO 0.06 0.79 0.04 0.58 -1.65 0.00 0.00 177.43 177.26 1au7 h VAL 30 N 0.46 0.94 -0.30 2.81 2.07 -1.18 -0.65 116.25 120.39 1au7 h VAL 30 Ca 0.06 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1au7 h VAL 30 Cb 0.72 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1au7 h VAL 30 CO 0.06 0.02 0.21 1.23 0.02 0.00 0.00 177.57 179.10 1au7 h GLY 31 N 0.12 0.25 0.26 2.17 0.00 -1.38 -0.71 103.07 103.79 1au7 h GLY 31 Ca 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1au7 h GLY 31 CO -0.10 0.07 -0.25 0.83 0.00 0.00 0.00 176.54 177.09 1au7 h GLU 32 N 0.22 0.11 -0.49 4.80 5.08 -1.21 -3.13 114.58 119.96 1au7 h GLU 32 Ca 0.13 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1au7 h GLU 32 Cb 0.25 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1au7 h GLU 32 CO -0.02 1.04 0.32 0.00 -1.00 0.00 0.00 179.01 179.35 1au7 h ALA 33 N 0.07 1.65 0.00 3.43 0.00 -0.95 0.22 119.26 123.69 1au7 h ALA 33 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1au7 h ALA 33 Cb 1.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1au7 h ALA 33 CO 0.05 0.32 0.00 -0.11 0.00 0.00 0.00 179.25 179.51 1au7 n LEU 34 N -4.46 0.00 -0.07 0.00 7.94 -0.29 -1.97 117.00 118.14 1au7 n LEU 34 Ca 0.04 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.85 1au7 n LEU 34 Cb 0.05 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.92 1au7 n LEU 34 CO 0.35 0.00 -0.99 0.00 -1.11 0.00 0.00 177.39 175.64 1au7 n ALA 35 N -0.67 1.66 0.22 1.96 0.00 0.06 -3.43 120.51 120.31 1au7 n ALA 35 Ca 0.05 -0.74 0.10 0.00 0.00 0.00 0.00 53.44 52.85 1au7 n ALA 35 Cb 0.02 0.07 0.67 0.00 0.00 0.00 0.00 19.45 20.21 1au7 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1au7 h ALA 36 N 0.22 2.04 0.00 0.00 0.00 -1.32 0.17 119.26 120.37 1au7 h ALA 36 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1au7 h ALA 36 Cb 1.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1au7 h ALA 36 CO -0.03 -0.10 -1.17 0.28 0.00 0.00 0.00 179.25 178.23 1au7 n VAL 37 N -4.46 0.00 0.27 0.00 0.31 -1.22 -4.74 118.33 108.48 1au7 n VAL 37 Ca -0.01 -0.15 0.03 0.00 -0.01 0.00 0.00 64.34 64.20 1au7 n VAL 37 Cb 0.17 0.43 -0.03 0.00 -0.91 0.00 0.00 33.84 33.49 1au7 n VAL 37 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1au7 n HIS 38 N -1.65 0.00 0.00 3.52 -0.00 -1.16 -5.07 115.22 110.87 1au7 n HIS 38 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1au7 n HIS 38 Cb 0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 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 1.18 1.85 3.88 1.57 0.00 0.59 -4.96 105.19 109.31 1au7 n GLY 39 Ca 0.01 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1au7 n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1au7 s SER 40 N -0.32 6.48 -0.20 1.61 0.01 -1.26 -4.79 113.70 115.22 1au7 s SER 40 Ca 0.00 1.02 -0.07 0.00 1.31 0.00 0.00 55.95 58.22 1au7 s SER 40 Cb 0.00 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 1au7 s SER 40 CO 0.00 -0.37 0.04 -0.70 0.41 0.00 0.00 173.24 172.62 1au7 s GLU 41 N -3.87 3.78 0.19 12.44 2.12 -1.26 -3.89 118.70 128.21 1au7 s GLU 41 Ca 0.49 -0.43 -0.19 0.00 0.36 0.00 0.00 54.97 55.20 1au7 s GLU 41 Cb -0.10 -3.19 -0.08 0.00 0.26 0.00 0.00 34.13 31.01 1au7 s GLU 41 CO 0.32 0.08 0.68 -0.06 -0.54 0.00 0.00 175.26 175.75 1au7 s PHE 42 N 0.86 3.66 1.04 5.30 0.08 -1.18 -5.03 117.98 122.72 1au7 s PHE 42 Ca 0.03 1.33 -0.15 0.00 0.12 0.00 0.00 56.93 58.26 1au7 s PHE 42 Cb -0.14 -2.57 0.21 0.00 -0.57 0.00 0.00 43.02 39.95 1au7 s PHE 42 CO 0.02 0.38 1.12 -1.54 -0.10 0.00 0.00 175.22 175.10 1au7 s SER 43 N -1.61 2.30 0.17 1.36 1.04 -1.26 -4.41 113.70 111.29 1au7 s SER 43 Ca 0.41 0.90 -0.11 0.00 0.48 0.00 0.00 55.95 57.63 1au7 s SER 43 Cb -0.17 -1.38 0.05 0.00 0.10 0.00 0.00 66.02 64.62 1au7 s SER 43 CO 0.21 -3.30 1.63 -0.61 0.98 0.00 0.00 173.24 172.14 1au7 h GLN 44 N -2.01 0.98 -0.80 4.02 -0.00 -1.91 -2.93 115.11 112.46 1au7 h GLN 44 Ca -0.50 -0.30 0.11 0.00 -0.00 0.00 0.00 58.65 57.95 1au7 h GLN 44 Cb 1.32 -0.09 -0.08 0.00 0.00 0.00 0.00 27.48 28.62 1au7 h GLN 44 CO 0.51 0.97 0.42 1.15 0.00 0.00 0.00 178.83 181.88 1au7 h THR 45 N 0.86 0.84 -0.30 2.39 2.02 -1.94 -0.97 112.91 115.81 1au7 h THR 45 Ca 0.16 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1au7 h THR 45 Cb 0.51 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1au7 h THR 45 CO 0.02 0.12 0.03 0.74 0.37 0.00 0.00 175.52 176.81 1au7 h THR 46 N 0.68 1.24 -0.48 3.16 2.02 -1.88 0.13 112.91 117.78 1au7 h THR 46 Ca 0.40 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1au7 h THR 46 Cb 0.45 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1au7 h THR 46 CO -0.29 0.28 0.23 0.40 0.37 0.00 0.00 175.52 176.51 1au7 h ILE 47 N 0.32 1.16 -0.03 3.11 1.08 -1.29 -0.50 117.51 121.36 1au7 h ILE 47 Ca 0.09 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 1au7 h ILE 47 Cb 0.38 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1au7 h ILE 47 CO 0.01 0.19 -0.04 0.00 -0.69 0.00 0.00 178.15 177.62 1au7 h ARG 49 N -0.41 0.53 0.50 0.00 3.08 -0.45 -1.34 114.38 116.29 1au7 h ARG 49 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1au7 h ARG 49 Cb 0.56 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1au7 h ARG 49 CO 0.01 0.35 -0.33 0.35 -1.07 0.00 0.00 179.97 179.28 1au7 h PHE 50 N 0.55 -0.89 -1.01 3.04 3.57 -1.09 0.27 116.94 121.38 1au7 h PHE 50 Ca 0.35 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 62.08 1au7 h PHE 50 Cb 0.40 0.32 -0.11 0.00 2.79 0.00 0.00 35.95 39.36 1au7 h PHE 50 CO -0.12 -0.48 0.62 0.93 -2.23 0.00 0.00 178.31 177.02 1au7 h GLU 51 N -0.78 0.55 -0.05 1.11 5.08 -1.31 0.68 114.58 119.86 1au7 h GLU 51 Ca -0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1au7 h GLU 51 Cb 0.64 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1au7 h GLU 51 CO 0.05 0.36 0.00 0.09 -1.00 0.00 0.00 179.01 178.52 1au7 n ASN 52 N -4.76 1.07 -3.98 1.42 3.02 -0.52 -4.69 115.26 106.82 1au7 n ASN 52 Ca 0.25 -1.44 -0.31 0.00 -0.03 0.00 0.00 54.58 53.04 1au7 n ASN 52 Cb 0.74 -0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.90 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 -0.14 -2.38 -2.42 3.41 4.77 0.24 -4.85 117.00 115.64 1au7 n LEU 53 Ca 0.19 -0.83 -0.29 0.00 -0.03 0.00 0.00 56.01 55.05 1au7 n LEU 53 Cb 0.27 -2.46 0.01 0.00 -2.33 0.00 0.00 43.42 38.91 1au7 n LEU 53 CO 0.15 0.43 1.47 0.00 -1.33 0.00 0.00 177.39 178.11 1au7 n GLN 54 N -4.62 2.40 -4.28 3.23 1.13 0.54 -4.87 117.38 110.90 1au7 n GLN 54 Ca 0.04 -2.61 -0.15 0.00 -1.94 0.00 0.00 57.00 52.35 1au7 n GLN 54 Cb 0.52 -2.08 -0.10 0.00 0.11 0.00 0.00 30.24 28.69 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 -2.83 1.88 0.50 1.08 1.43 -1.26 -4.91 118.68 114.56 1au7 s LEU 55 Ca 0.52 -1.27 -0.20 0.00 -1.03 0.00 0.00 54.13 52.15 1au7 s LEU 55 Cb 0.39 -0.02 -0.08 0.00 0.03 0.00 0.00 46.19 46.51 1au7 s LEU 55 CO -0.18 -0.64 1.05 -0.94 0.23 0.00 0.00 176.35 175.87 1au7 s SER 56 N -3.24 6.25 0.35 2.29 1.04 -1.26 -4.83 113.70 114.29 1au7 s SER 56 Ca 0.31 1.96 0.10 0.00 0.48 0.00 0.00 55.95 58.80 1au7 s SER 56 Cb 0.07 -2.56 0.86 0.00 0.10 0.00 0.00 66.02 64.49 1au7 s SER 56 CO 0.09 -0.85 1.82 0.15 0.98 0.00 0.00 173.24 175.43 1au7 h PHE 57 N 1.48 0.85 -0.04 5.02 3.57 -1.99 -0.25 116.94 125.58 1au7 h PHE 57 Ca -0.49 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1au7 h PHE 57 Cb 1.23 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1au7 h PHE 57 CO 0.56 0.23 -0.01 -0.22 -2.23 0.00 0.00 178.31 176.64 1au7 h LYS 58 N 0.65 0.08 -0.38 1.11 3.64 -2.00 -2.48 116.57 117.19 1au7 h LYS 58 Ca 0.52 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.91 1au7 h LYS 58 Cb 0.94 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.71 1au7 h LYS 58 CO -0.27 0.43 0.12 -0.97 -2.27 0.00 0.00 179.45 176.49 1au7 h ASN 59 N -0.28 0.12 -0.26 4.20 -0.73 -1.48 -0.98 115.58 116.17 1au7 h ASN 59 Ca 0.01 0.05 0.04 0.00 1.87 0.00 0.00 56.30 58.27 1au7 h ASN 59 Cb 0.40 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.02 1au7 h ASN 59 CO 0.00 0.10 0.18 0.00 -0.37 0.00 0.00 177.43 177.34 1au7 h ALA 60 N 1.25 2.05 0.10 1.57 0.00 -1.14 -1.21 119.26 121.89 1au7 h ALA 60 Ca 0.18 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.80 1au7 h ALA 60 Cb 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1au7 h ALA 60 CO -0.19 -0.10 -1.18 0.00 0.00 0.00 0.00 179.25 177.78 1au7 h LYS 62 N 0.18 -0.65 -0.81 0.00 3.64 -0.18 -2.69 116.57 116.07 1au7 h LYS 62 Ca -0.15 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1au7 h LYS 62 Cb 1.87 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 33.78 1au7 h LYS 62 CO 0.21 -0.43 0.53 -0.07 -2.27 0.00 0.00 179.45 177.42 1au7 h LEU 63 N -0.67 0.81 -0.81 5.20 3.38 -1.35 -1.95 115.31 119.92 1au7 h LEU 63 Ca -0.06 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1au7 h LEU 63 Cb 0.54 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1au7 h LEU 63 CO 0.07 0.53 0.50 0.50 0.09 0.00 0.00 178.44 180.14 1au7 h LYS 64 N 0.93 1.10 -0.92 1.13 3.64 -1.24 0.01 116.57 121.22 1au7 h LYS 64 Ca 0.34 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1au7 h LYS 64 Cb 0.15 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1au7 h LYS 64 CO -0.11 0.76 0.60 0.00 -2.27 0.00 0.00 179.45 178.43 1au7 h ALA 65 N 1.27 1.21 0.30 5.00 0.00 -1.03 0.24 119.26 126.25 1au7 h ALA 65 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1au7 h ALA 65 Cb -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1au7 h ALA 65 CO -0.06 0.46 -0.14 0.82 0.00 0.00 0.00 179.25 180.33 1au7 h ILE 66 N 1.16 0.69 -0.09 0.00 2.04 -1.34 -3.26 117.51 116.71 1au7 h ILE 66 Ca 0.37 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 1au7 h ILE 66 Cb 0.00 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1au7 h ILE 66 CO -0.12 0.12 -0.36 -0.07 0.00 0.00 0.00 178.15 177.73 1au7 h LEU 67 N -0.79 0.18 0.32 1.44 3.38 -0.90 -2.97 115.31 115.96 1au7 h LEU 67 Ca -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1au7 h LEU 67 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1au7 h LEU 67 CO 0.07 0.53 -0.15 -1.28 0.09 0.00 0.00 178.44 177.69 1au7 h SER 68 N 0.15 -0.36 -0.48 -0.43 0.87 -0.63 -2.12 113.55 110.56 1au7 h SER 68 Ca 0.02 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1au7 h SER 68 Cb 0.71 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1au7 h SER 68 CO 0.05 -0.25 0.21 0.07 -0.53 0.00 0.00 176.83 176.38 1au7 h LYS 69 N -0.43 0.71 -0.08 2.24 -0.00 -1.59 -3.22 116.57 114.19 1au7 h LYS 69 Ca -0.04 -0.12 0.00 0.00 -0.00 0.00 0.00 60.65 60.49 1au7 h LYS 69 Cb 0.33 -0.12 -0.00 0.00 -0.00 0.00 0.00 32.23 32.44 1au7 h LYS 69 CO 0.07 0.62 0.05 2.35 -0.00 0.00 0.00 179.45 182.55 1au7 h TRP 70 N 0.63 0.11 -0.95 0.07 7.01 -1.49 -3.08 115.95 118.25 1au7 h TRP 70 Ca 0.16 0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.31 1au7 h TRP 70 Cb 0.17 -0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 27.11 1au7 h TRP 70 CO -0.00 0.09 0.60 1.25 -2.79 0.00 0.00 178.44 177.59 1au7 h LEU 71 N 0.09 0.76 -0.12 0.65 5.85 -1.39 -0.85 115.31 120.31 1au7 h LEU 71 Ca 0.03 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1au7 h LEU 71 Cb 0.01 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1au7 h LEU 71 CO -0.01 0.37 0.00 -0.33 -0.34 0.00 0.00 178.44 178.14 1au7 h GLU 72 N 0.80 0.00 -0.02 1.25 5.08 -1.58 -2.67 114.58 117.45 1au7 h GLU 72 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1au7 h GLU 72 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1au7 h GLU 72 CO -0.25 0.00 -0.11 -0.85 -1.00 0.00 0.00 179.01 176.80 1au7 n GLU 73 N -2.73 1.52 -0.32 2.33 0.28 -0.42 -3.93 120.64 117.37 1au7 n GLU 73 Ca 0.04 -1.01 -0.01 0.00 -0.16 0.00 0.00 57.16 56.03 1au7 n GLU 73 Cb 0.46 -1.48 0.11 0.00 1.43 0.00 0.00 31.44 31.96 1au7 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1au7 n ALA 74 N 0.14 3.11 -3.36 -1.84 0.00 -0.64 -4.66 120.51 113.26 1au7 n ALA 74 Ca 0.16 -0.70 -0.46 0.00 0.00 0.00 0.00 53.44 52.43 1au7 n ALA 74 Cb 0.40 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1au7 n ALA 74 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1au7 s GLU 75 N -1.42 3.68 0.15 0.00 0.41 -1.25 -5.07 118.70 115.20 1au7 s GLU 75 Ca 0.18 -2.64 0.00 0.00 -0.41 0.00 0.00 54.97 52.10 1au7 s GLU 75 Cb 0.14 -4.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.08 1au7 s GLU 75 CO 0.05 -1.27 0.00 1.04 -0.49 0.00 0.00 175.26 174.58 1au7 n GLN 76 N 3.65 0.00 0.00 1.61 6.02 -1.26 -5.18 117.38 122.23 1au7 n GLN 76 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1au7 n GLN 76 Cb 0.45 -0.21 0.00 0.00 1.02 0.00 0.00 30.24 31.49 1au7 n GLN 76 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1au7 n LYS 103 N -3.28 0.00 -1.34 -1.09 5.02 -1.26 -5.18 118.16 111.03 1au7 n LYS 103 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1au7 n LYS 103 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 1au7 n LYS 103 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1au7 n ARG 104 N 0.00 0.00 -1.45 1.97 1.74 -1.26 -5.04 116.66 112.62 1au7 n ARG 104 Ca 0.00 0.27 -0.41 0.00 -0.77 0.00 0.00 57.85 56.93 1au7 n ARG 104 Cb 0.00 -1.34 0.01 0.00 -1.02 0.00 0.00 32.46 30.11 1au7 n ARG 104 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1au7 n ARG 105 N -1.08 0.55 -4.79 5.56 0.63 -1.26 -5.00 116.66 111.27 1au7 n ARG 105 Ca 0.00 0.20 -0.33 0.00 -0.92 0.00 0.00 57.85 56.80 1au7 n ARG 105 Cb 0.45 -1.51 -0.14 0.00 0.45 0.00 0.00 32.46 31.71 1au7 n ARG 105 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1au7 s THR 106 N -1.52 3.05 -0.21 5.15 2.01 -1.26 -5.09 115.64 117.77 1au7 s THR 106 Ca 0.63 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.80 1au7 s THR 106 Cb -0.58 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 1au7 s THR 106 CO 0.58 0.53 0.46 0.42 -0.69 0.00 0.00 174.62 175.92 1au7 s THR 107 N 0.26 5.14 -0.27 -0.82 -4.23 -1.26 -5.05 115.64 109.42 1au7 s THR 107 Ca -0.09 0.82 -0.13 0.00 -1.18 0.00 0.00 61.69 61.10 1au7 s THR 107 Cb -0.16 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.86 1au7 s THR 107 CO 0.05 0.19 0.30 -0.63 -0.54 0.00 0.00 174.62 173.99 1au7 s ILE 108 N 1.63 5.23 0.98 2.99 1.01 -1.26 -5.08 121.20 126.71 1au7 s ILE 108 Ca 0.21 0.41 -0.11 0.00 0.00 0.00 0.00 60.65 61.16 1au7 s ILE 108 Cb -0.15 -3.63 0.18 0.00 0.01 0.00 0.00 42.46 38.87 1au7 s ILE 108 CO 0.09 0.20 1.10 -0.94 0.00 0.00 0.00 174.94 175.39 1au7 s SER 109 N 1.64 2.53 0.49 3.58 1.04 -1.26 -4.75 113.70 116.97 1au7 s SER 109 Ca 0.12 1.88 0.17 0.00 0.48 0.00 0.00 55.95 58.60 1au7 s SER 109 Cb -0.16 -2.44 1.19 0.00 0.10 0.00 0.00 66.02 64.72 1au7 s SER 109 CO 0.10 -3.30 2.07 0.40 0.98 0.00 0.00 173.24 173.49 1au7 h ILE 110 N -2.00 0.99 0.18 -1.02 2.04 -1.98 0.70 117.51 116.43 1au7 h ILE 110 Ca -0.49 -0.37 -0.25 0.00 1.00 0.00 0.00 64.86 64.75 1au7 h ILE 110 Cb 1.29 1.20 0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1au7 h ILE 110 CO 0.46 0.10 -1.08 0.00 0.00 0.00 0.00 178.15 177.63 1au7 h ALA 111 N 1.90 -0.12 -0.37 1.87 0.00 -1.99 -2.31 119.26 118.23 1au7 h ALA 111 Ca -0.00 -0.76 0.04 0.00 0.00 0.00 0.00 54.91 54.19 1au7 h ALA 111 Cb 0.20 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1au7 h ALA 111 CO 0.01 0.51 0.16 0.00 0.00 0.00 0.00 179.25 179.93 1au7 h ALA 112 N 0.12 0.45 -0.05 0.00 0.00 -1.72 -1.10 119.26 116.96 1au7 h ALA 112 Ca -0.19 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1au7 h ALA 112 Cb 1.85 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1au7 h ALA 112 CO 0.20 -0.22 -0.16 -0.22 0.00 0.00 0.00 179.25 178.85 1au7 h LYS 113 N 0.33 0.08 0.07 0.00 3.64 -0.94 -0.26 116.57 119.50 1au7 h LYS 113 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1au7 h LYS 113 Cb 0.11 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1au7 h LYS 113 CO -0.14 0.25 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.81 1au7 h ASP 114 N 0.08 -0.08 0.11 4.20 3.32 -0.65 -2.56 116.42 120.84 1au7 h ASP 114 Ca 0.02 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1au7 h ASP 114 Cb 0.34 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1au7 h ASP 114 CO 0.02 0.36 -0.09 0.00 -1.72 0.00 0.00 179.24 177.81 1au7 h ALA 115 N 0.34 -0.19 -0.58 3.45 0.00 -1.14 -2.60 119.26 118.54 1au7 h ALA 115 Ca -0.01 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1au7 h ALA 115 Cb 0.46 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 1au7 h ALA 115 CO 0.02 -0.62 -0.34 -0.07 0.00 0.00 0.00 179.25 178.24 1au7 h LEU 116 N -0.21 -1.17 0.00 0.00 3.38 -1.04 0.13 115.31 116.40 1au7 h LEU 116 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1au7 h LEU 116 Cb 0.20 0.58 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1au7 h LEU 116 CO -0.02 -0.31 0.00 1.21 0.09 0.00 0.00 178.44 179.42 1au7 n GLU 117 N -5.43 0.22 -0.06 1.13 0.00 -0.97 -1.15 120.64 114.38 1au7 n GLU 117 Ca 0.04 0.07 -0.14 0.00 0.00 0.00 0.00 57.16 57.13 1au7 n GLU 117 Cb 0.35 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.17 1au7 n GLU 117 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1au7 h ARG 118 N 0.00 0.01 -0.67 5.31 2.43 -0.39 -3.00 114.38 118.07 1au7 h ARG 118 Ca 0.00 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1au7 h ARG 118 Cb 0.29 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 1au7 h ARG 118 CO 0.00 0.91 0.37 0.45 -1.51 0.00 0.00 179.97 180.19 1au7 h HIS 119 N -0.88 0.67 -0.44 2.20 3.86 -0.99 -1.98 115.15 117.59 1au7 h HIS 119 Ca -0.00 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.32 1au7 h HIS 119 Cb 0.92 -0.20 -0.09 0.00 1.06 0.00 0.00 27.41 29.10 1au7 h HIS 119 CO 0.24 0.31 -0.14 0.35 0.86 0.00 0.00 177.93 179.55 1au7 h PHE 120 N 0.67 -0.32 0.00 2.45 3.57 -1.19 0.18 116.94 122.30 1au7 h PHE 120 Ca 0.31 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1au7 h PHE 120 Cb 0.21 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1au7 h PHE 120 CO -0.08 -0.22 0.00 0.78 -2.23 0.00 0.00 178.31 176.55 1au7 h GLY 121 N -0.04 0.00 0.64 2.40 0.00 -1.22 -2.08 103.07 102.77 1au7 h GLY 121 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.22 1au7 h GLY 121 CO -0.47 0.00 -1.66 0.83 0.00 0.00 0.00 176.54 175.23 1au7 h GLU 122 N 0.00 0.28 -1.93 4.80 5.08 -0.26 -3.46 114.58 119.09 1au7 h GLU 122 Ca 0.00 -0.48 -0.19 0.00 -1.00 0.00 0.00 59.36 57.70 1au7 h GLU 122 Cb 0.26 0.18 -0.30 0.00 0.50 0.00 0.00 28.75 29.39 1au7 h GLU 122 CO 0.00 1.23 -0.51 -1.58 -1.00 0.00 0.00 179.01 177.14 1au7 s HIS 123 N -2.52 -0.79 0.42 4.33 5.04 -0.14 -5.06 115.29 116.57 1au7 s HIS 123 Ca -0.20 0.60 0.12 0.00 -1.54 0.00 0.00 55.06 54.04 1au7 s HIS 123 Cb 0.05 -0.08 0.89 0.00 0.04 0.00 0.00 32.58 33.48 1au7 s HIS 123 CO 0.78 -0.78 1.96 1.03 -2.34 0.00 0.00 174.74 175.39 1au7 h SER 124 N 8.20 0.13 -3.59 9.88 0.87 -1.59 -3.38 113.55 124.07 1au7 h SER 124 Ca -0.17 -0.02 -0.62 0.00 -1.23 0.00 0.00 61.79 59.75 1au7 h SER 124 Cb 1.14 -0.04 -0.40 0.00 -0.44 0.00 0.00 62.40 62.66 1au7 h SER 124 CO 0.28 0.29 -0.72 -0.54 -0.53 0.00 0.00 176.83 175.60 1au7 s LYS 125 N -4.73 1.30 0.57 2.24 3.01 -1.26 -4.96 119.74 115.91 1au7 s LYS 125 Ca -0.05 -1.89 -0.20 0.00 -1.01 0.00 0.00 55.97 52.82 1au7 s LYS 125 Cb 0.16 -2.53 -0.04 0.00 -1.01 0.00 0.00 37.83 34.41 1au7 s LYS 125 CO 0.72 -1.09 1.20 -2.14 0.51 0.00 0.00 175.35 174.55 1au7 s PRO 126 N 0.59 3.14 0.86 -1.68 0.02 -1.26 -5.05 135.00 131.61 1au7 s PRO 126 Ca 0.15 1.81 -0.12 0.00 0.02 0.00 0.00 61.00 62.86 1au7 s PRO 126 Cb -0.23 -2.01 0.11 0.00 0.02 0.00 0.00 34.50 32.39 1au7 s PRO 126 CO -0.06 -1.07 1.12 -1.54 -0.33 0.00 0.00 177.00 175.12 1au7 s SER 127 N -1.56 3.91 0.39 2.53 1.04 -1.26 -4.80 113.70 113.95 1au7 s SER 127 Ca 0.75 1.10 0.28 0.00 0.48 0.00 0.00 55.95 58.56 1au7 s SER 127 Cb -0.30 -1.74 1.33 0.00 0.10 0.00 0.00 66.02 65.41 1au7 s SER 127 CO 0.33 -2.32 1.85 -1.28 0.98 0.00 0.00 173.24 172.80 1au7 h SER 128 N -1.33 0.00 0.03 7.02 0.87 -1.99 -0.90 113.55 117.24 1au7 h SER 128 Ca -0.49 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 59.94 1au7 h SER 128 Cb 1.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1au7 h SER 128 CO 0.61 0.00 -0.65 -0.61 -0.53 0.00 0.00 176.83 175.65 1au7 h GLN 129 N 0.00 0.07 -0.17 2.24 -0.00 -1.98 -2.96 115.11 112.31 1au7 h GLN 129 Ca 0.00 -0.11 0.04 0.00 -0.00 0.00 0.00 58.65 58.58 1au7 h GLN 129 Cb 0.23 0.04 -0.04 0.00 0.00 0.00 0.00 27.48 27.71 1au7 h GLN 129 CO 0.00 1.05 -0.08 0.93 0.00 0.00 0.00 178.83 180.73 1au7 h GLU 130 N -0.84 -0.06 -0.91 1.69 5.08 -1.73 0.10 114.58 117.90 1au7 h GLU 130 Ca -0.16 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1au7 h GLU 130 Cb 1.26 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1au7 h GLU 130 CO -0.04 -0.04 0.60 0.82 -1.00 0.00 0.00 179.01 179.35 1au7 h ILE 131 N -0.06 1.13 0.00 3.13 2.04 -1.31 0.24 117.51 122.68 1au7 h ILE 131 Ca 0.09 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 1au7 h ILE 131 Cb 0.20 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1au7 h ILE 131 CO -0.21 0.20 -0.36 -0.03 0.00 0.00 0.00 178.15 177.76 1au7 h MET 132 N 1.12 0.00 0.01 2.37 4.05 -1.20 -2.33 114.93 118.95 1au7 h MET 132 Ca 0.37 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.78 1au7 h MET 132 Cb 0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1au7 h MET 132 CO -0.12 0.36 -0.05 -0.09 0.23 0.00 0.00 176.91 177.24 1au7 h ARG 133 N 0.00 0.02 -0.15 0.39 2.43 0.69 -2.84 114.38 114.91 1au7 h ARG 133 Ca -0.00 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1au7 h ARG 133 Cb 0.76 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1au7 h ARG 133 CO 0.05 0.97 0.14 0.52 -1.51 0.00 0.00 179.97 180.13 1au7 h MET 134 N -0.91 0.00 -0.03 0.20 2.86 -0.98 0.13 114.93 116.20 1au7 h MET 134 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1au7 h MET 134 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1au7 h MET 134 CO 0.01 0.00 -0.20 0.00 1.06 0.00 0.00 176.91 177.77 1au7 h ALA 135 N 1.87 0.06 -0.53 6.32 0.00 -1.48 -1.97 119.26 123.54 1au7 h ALA 135 Ca 0.07 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 1au7 h ALA 135 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1au7 h ALA 135 CO -0.00 0.05 0.05 0.93 0.00 0.00 0.00 179.25 180.28 1au7 h GLU 136 N -0.41 0.86 -0.30 0.00 5.08 -1.11 0.29 114.58 118.99 1au7 h GLU 136 Ca -0.02 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1au7 h GLU 136 Cb 0.89 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1au7 h GLU 136 CO 0.04 0.83 -0.13 1.49 -1.00 0.00 0.00 179.01 180.25 1au7 h GLU 137 N 0.81 0.51 -0.02 2.33 4.81 -0.78 -3.12 114.58 119.13 1au7 h GLU 137 Ca 0.16 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1au7 h GLU 137 Cb 0.42 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1au7 h GLU 137 CO 0.01 0.63 -0.17 1.28 -0.73 0.00 0.00 179.01 180.04 1au7 n LEU 138 N -4.20 1.99 -3.22 1.64 4.77 -0.74 -5.01 117.00 112.23 1au7 n LEU 138 Ca 0.01 -0.88 -0.18 0.00 -0.03 0.00 0.00 56.01 54.93 1au7 n LEU 138 Cb 0.33 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1au7 n LEU 138 CO 0.40 0.37 0.14 -3.20 -1.33 0.00 0.00 177.39 173.77 1au7 n ASN 139 N 0.39 -3.45 -4.57 -1.43 5.15 0.92 -5.04 115.26 107.22 1au7 n ASN 139 Ca 0.08 -0.53 -0.26 0.00 -0.60 0.00 0.00 54.58 53.27 1au7 n ASN 139 Cb 0.38 -4.63 -0.10 0.00 -0.53 0.00 0.00 39.78 34.90 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 -6.19 2.81 0.28 1.20 1.43 -0.64 -5.04 118.68 112.53 1au7 s LEU 140 Ca 0.19 -1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 51.90 1au7 s LEU 140 Cb -0.08 -1.09 -0.09 0.00 0.03 0.00 0.00 46.19 44.96 1au7 s LEU 140 CO 0.66 -0.23 0.86 -1.61 0.23 0.00 0.00 176.35 176.26 1au7 s GLU 141 N -3.64 4.47 0.48 1.70 0.41 -1.26 -4.54 118.70 116.32 1au7 s GLU 141 Ca 0.33 1.17 0.30 0.00 -0.41 0.00 0.00 54.97 56.36 1au7 s GLU 141 Cb 0.02 -2.84 1.38 0.00 -1.78 0.00 0.00 34.13 30.91 1au7 s GLU 141 CO 0.17 0.33 1.77 -0.22 -0.49 0.00 0.00 175.26 176.82 1au7 h LYS 142 N 3.29 0.15 -0.08 1.61 3.64 -1.92 0.18 116.57 123.44 1au7 h LYS 142 Ca -0.47 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 1au7 h LYS 142 Cb 1.19 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1au7 h LYS 142 CO 0.65 0.10 -0.32 1.49 -2.27 0.00 0.00 179.45 179.10 1au7 h GLU 143 N 0.15 0.16 -0.35 1.90 4.57 -1.96 -0.79 114.58 118.27 1au7 h GLU 143 Ca 0.61 -0.06 -0.17 0.00 -1.18 0.00 0.00 59.36 58.57 1au7 h GLU 143 Cb 2.06 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 30.63 1au7 h GLU 143 CO -0.15 0.47 -0.43 0.28 -1.18 0.00 0.00 179.01 178.00 1au7 h VAL 144 N 0.14 1.27 -0.23 0.32 2.07 -1.01 -1.49 116.25 117.33 1au7 h VAL 144 Ca 0.02 -1.60 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 1au7 h VAL 144 Cb 0.64 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1au7 h VAL 144 CO 0.05 0.53 -0.25 0.58 0.02 0.00 0.00 177.57 178.49 1au7 h VAL 145 N 0.71 1.32 0.04 2.57 2.07 -1.37 -1.46 116.25 120.13 1au7 h VAL 145 Ca 0.05 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.16 1au7 h VAL 145 Cb 1.03 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 1au7 h VAL 145 CO 0.10 0.44 -0.36 -0.09 0.02 0.00 0.00 177.57 177.69 1au7 h ARG 146 N 0.28 -0.52 0.00 1.57 2.43 -1.04 -1.80 114.38 115.30 1au7 h ARG 146 Ca 0.03 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1au7 h ARG 146 Cb 0.82 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1au7 h ARG 146 CO 0.06 -0.35 -0.27 0.28 -1.51 0.00 0.00 179.97 178.18 1au7 h VAL 147 N -0.54 1.19 -0.61 0.20 2.07 -1.28 -2.31 116.25 114.97 1au7 h VAL 147 Ca 0.05 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1au7 h VAL 147 Cb 0.61 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1au7 h VAL 147 CO -0.26 0.27 0.02 -0.25 0.02 0.00 0.00 177.57 177.37 1au7 h TRP 148 N 0.00 1.14 -0.13 1.57 7.01 -0.86 -1.67 115.95 123.01 1au7 h TRP 148 Ca -0.00 -0.18 -0.03 0.00 2.11 0.00 0.00 58.89 60.78 1au7 h TRP 148 Cb 0.48 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1au7 h TRP 148 CO 0.00 0.99 -0.04 0.74 -2.79 0.00 0.00 178.44 177.34 1au7 h PHE 149 N 0.97 0.29 -0.21 2.65 0.04 -1.02 -2.79 116.94 116.87 1au7 h PHE 149 Ca 0.18 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.92 1au7 h PHE 149 Cb 0.52 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 1au7 h PHE 149 CO 0.04 0.57 -0.06 0.00 -0.60 0.00 0.00 178.31 178.25 1au7 h ASN 151 N -0.02 0.97 -0.54 0.00 4.21 -1.34 0.38 115.58 119.25 1au7 h ASN 151 Ca 0.10 -0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.56 1au7 h ASN 151 Cb 0.17 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.13 1au7 h ASN 151 CO -0.22 0.65 0.15 -0.09 -1.29 0.00 0.00 177.43 176.64 1au7 h ARG 152 N 1.12 0.84 -0.26 0.81 9.65 -1.16 0.42 114.38 125.80 1au7 h ARG 152 Ca 0.38 -0.19 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 1au7 h ARG 152 Cb 0.08 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1au7 h ARG 152 CO -0.12 0.78 0.04 0.00 2.80 0.00 0.00 179.97 183.47 1au7 h ARG 153 N 0.75 0.43 -0.74 0.20 3.08 -0.70 -3.26 114.38 114.14 1au7 h ARG 153 Ca 0.17 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1au7 h ARG 153 Cb 0.30 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1au7 h ARG 153 CO -0.00 0.55 0.47 0.37 -1.07 0.00 0.00 179.97 180.28 1au7 h GLN 154 N 0.24 0.89 -0.70 0.04 4.15 -0.74 -2.08 115.11 116.90 1au7 h GLN 154 Ca 0.08 -0.05 0.15 0.00 0.77 0.00 0.00 58.65 59.59 1au7 h GLN 154 Cb 0.33 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1au7 h GLN 154 CO 0.00 0.59 0.47 0.00 -1.93 0.00 0.00 178.83 177.97 1au7 h ARG 155 N 0.91 0.33 0.00 1.69 3.08 -0.96 -2.42 114.38 117.01 1au7 h ARG 155 Ca 0.29 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1au7 h ARG 155 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1au7 h ARG 155 CO -0.11 0.22 0.00 -0.85 -1.07 0.00 0.00 179.97 178.16 1au7 n GLU 156 N -4.46 0.42 -0.35 0.04 0.28 -0.78 -2.52 120.64 113.27 1au7 n GLU 156 Ca 0.13 0.06 0.08 0.00 -0.16 0.00 0.00 57.16 57.28 1au7 n GLU 156 Cb 0.53 -1.50 0.26 0.00 1.43 0.00 0.00 31.44 32.16 1au7 n GLU 156 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1au7 n LYS 157 N -1.19 2.58 -3.53 3.44 5.02 -0.91 -4.97 118.16 118.60 1au7 n LYS 157 Ca 0.12 -2.10 -0.31 0.00 -2.02 0.00 0.00 58.31 54.00 1au7 n LYS 157 Cb 0.13 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.42 3.71 0.25 1.97 0.52 -1.05 -5.01 118.95 117.92 1au7 s ARG 158 Ca 0.39 0.09 -0.02 0.00 -0.52 0.00 0.00 55.73 55.67 1au7 s ARG 158 Cb 0.22 -2.74 0.30 0.00 0.52 0.00 0.00 34.95 33.25 1au7 s ARG 158 CO 0.24 0.38 1.70 -0.39 0.02 0.00 0.00 175.30 177.24 1au7 h VAL 159 N 1.97 1.26 0.00 3.52 -1.51 -1.93 -3.52 116.25 116.04 1au7 h VAL 159 Ca -0.46 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.81 1au7 h VAL 159 Cb 1.17 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1au7 h VAL 159 CO 0.70 0.40 0.00 0.29 -1.23 0.00 0.00 177.57 177.74