#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg9 n LEU 2 N 0.00 -6.06 -4.69 3.17 7.99 -1.25 -4.81 117.00 111.34 1mg9 n LEU 2 Ca 0.00 2.26 -0.32 0.00 -0.01 0.00 0.00 56.01 57.94 1mg9 n LEU 2 Cb 0.00 -3.18 0.14 0.00 -0.11 0.00 0.00 43.42 40.27 1mg9 n LEU 2 CO 0.00 -4.00 0.73 0.54 -1.51 0.00 0.00 177.39 173.15 1mg9 s ASN 3 N -0.62 3.39 0.49 -1.43 2.20 -0.57 -4.71 114.94 113.69 1mg9 s ASN 3 Ca -0.27 2.27 0.24 0.00 -0.94 0.00 0.00 52.86 54.16 1mg9 s ASN 3 Cb 0.02 -2.58 1.30 0.00 -2.00 0.00 0.00 41.25 37.99 1mg9 s ASN 3 CO 0.74 -2.80 1.91 1.56 -2.94 0.00 0.00 177.10 175.56 1mg9 h GLN 4 N -1.27 0.16 -0.65 3.55 7.50 -1.91 -0.62 115.11 121.86 1mg9 h GLN 4 Ca -0.45 -0.01 -0.07 0.00 0.50 0.00 0.00 58.65 58.62 1mg9 h GLN 4 Cb 1.28 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.75 1mg9 h GLN 4 CO 0.45 0.10 0.12 1.49 -1.50 0.00 0.00 178.83 179.49 1mg9 h GLU 5 N 0.16 1.06 -0.28 1.46 4.57 -1.96 -2.64 114.58 116.96 1mg9 h GLU 5 Ca 0.39 -0.27 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 1mg9 h GLU 5 Cb 1.31 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1mg9 h GLU 5 CO -0.07 0.97 -0.09 1.25 -1.18 0.00 0.00 179.01 179.89 1mg9 h LEU 6 N 1.00 0.56 -0.66 1.64 6.46 -1.44 -2.75 115.31 120.12 1mg9 h LEU 6 Ca 0.20 -0.38 0.13 0.00 -0.12 0.00 0.00 57.88 57.71 1mg9 h LEU 6 Cb 0.41 -0.15 -0.09 0.00 -0.73 0.00 0.00 40.66 40.10 1mg9 h LEU 6 CO 0.01 0.81 0.18 -0.33 -0.62 0.00 0.00 178.44 178.49 1mg9 h GLU 7 N 0.30 0.30 -0.29 1.25 4.39 -1.35 0.27 114.58 119.45 1mg9 h GLU 7 Ca 0.07 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.79 1mg9 h GLU 7 Cb 0.57 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1mg9 h GLU 7 CO 0.03 0.20 0.07 -0.07 -1.16 0.00 0.00 179.01 178.08 1mg9 h LEU 8 N 0.31 0.05 -0.04 1.33 4.07 -1.34 0.24 115.31 119.93 1mg9 h LEU 8 Ca 0.35 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.35 1mg9 h LEU 8 Cb 0.54 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 1mg9 h LEU 8 CO -0.42 0.06 0.03 0.28 -1.08 0.00 0.00 178.44 177.31 1mg9 h SER 9 N 0.19 0.05 -0.97 -0.43 0.02 -0.78 0.33 113.55 111.95 1mg9 h SER 9 Ca 0.13 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1mg9 h SER 9 Cb 0.12 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 1mg9 h SER 9 CO -0.16 0.06 0.64 -0.07 -1.14 0.00 0.00 176.83 176.16 1mg9 h LEU 10 N 0.04 1.06 -0.58 5.07 3.38 -0.22 0.13 115.31 124.19 1mg9 h LEU 10 Ca 0.02 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1mg9 h LEU 10 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1mg9 h LEU 10 CO -0.00 0.73 -0.44 0.78 0.09 0.00 0.00 178.44 179.59 1mg9 h ASN 11 N 1.23 0.68 -0.32 -0.43 2.35 -0.10 -2.36 115.58 116.64 1mg9 h ASN 11 Ca 0.39 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1mg9 h ASN 11 Cb 0.00 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1mg9 h ASN 11 CO -0.12 1.03 0.10 -0.03 -1.65 0.00 0.00 177.43 176.76 1mg9 h MET 12 N 0.51 0.49 -0.58 0.81 4.05 0.85 -0.76 114.93 120.30 1mg9 h MET 12 Ca 0.03 -0.10 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 1mg9 h MET 12 Cb 0.97 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.68 1mg9 h MET 12 CO 0.09 0.52 0.22 0.00 0.23 0.00 0.00 176.91 177.97 1mg9 h ALA 13 N 0.94 0.76 -0.82 0.39 0.00 -0.77 -0.55 119.26 119.22 1mg9 h ALA 13 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1mg9 h ALA 13 Cb 0.23 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1mg9 h ALA 13 CO -0.00 0.38 0.49 0.35 0.00 0.00 0.00 179.25 180.47 1mg9 h PHE 14 N 0.80 1.07 -0.12 0.00 -0.00 -1.21 -1.67 116.94 115.81 1mg9 h PHE 14 Ca 0.19 -0.00 -0.20 0.00 -0.00 0.00 0.00 57.97 57.96 1mg9 h PHE 14 Cb 0.22 -0.35 0.00 0.00 -0.00 0.00 0.00 35.95 35.82 1mg9 h PHE 14 CO 0.01 0.71 -0.73 0.00 -0.00 0.00 0.00 178.31 178.30 1mg9 h ALA 15 N 1.41 0.48 -0.44 2.41 0.00 -0.82 -2.18 119.26 120.13 1mg9 h ALA 15 Ca 0.29 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.67 1mg9 h ALA 15 Cb -0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1mg9 h ALA 15 CO -0.05 0.72 0.10 -0.09 0.00 0.00 0.00 179.25 179.93 1mg9 h ARG 16 N 0.41 0.24 0.01 0.00 9.65 -0.49 0.13 114.38 124.33 1mg9 h ARG 16 Ca -0.04 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1mg9 h ARG 16 Cb 1.33 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.85 1mg9 h ARG 16 CO 0.14 0.16 -0.01 0.00 2.80 0.00 0.00 179.97 183.06 1mg9 h ALA 17 N 1.32 -0.02 -0.92 2.80 0.00 -1.21 -3.12 119.26 118.12 1mg9 h ALA 17 Ca 0.21 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1mg9 h ALA 17 Cb 0.25 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1mg9 h ALA 17 CO -0.26 -0.38 0.60 0.00 0.00 0.00 0.00 179.25 179.20 1mg9 h ARG 18 N -0.27 1.14 -0.18 0.00 3.08 -1.11 -0.07 114.38 116.97 1mg9 h ARG 18 Ca -0.00 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1mg9 h ARG 18 Cb 0.26 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1mg9 h ARG 18 CO 0.00 0.76 0.19 1.49 -1.07 0.00 0.00 179.97 181.34 1mg9 h GLU 19 N 1.18 0.00 -0.41 0.04 4.81 -0.68 0.17 114.58 119.70 1mg9 h GLU 19 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1mg9 h GLU 19 Cb -0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1mg9 h GLU 19 CO -0.11 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 178.89 1mg9 n HIS 20 N -3.90 0.78 -3.71 0.92 8.25 -0.82 -4.96 115.22 111.79 1mg9 n HIS 20 Ca 0.02 -0.60 -0.28 0.00 -0.26 0.00 0.00 57.72 56.59 1mg9 n HIS 20 Cb 0.31 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1mg9 n HIS 20 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1mg9 n ARG 21 N 0.47 -4.18 -2.22 -0.41 1.74 0.60 -4.79 116.66 107.88 1mg9 n ARG 21 Ca 0.17 0.52 -0.40 0.00 -0.77 0.00 0.00 57.85 57.37 1mg9 n ARG 21 Cb 0.62 -5.31 -0.02 0.00 -1.02 0.00 0.00 32.46 26.73 1mg9 n ARG 21 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1mg9 s HIS 22 N -3.14 3.15 0.32 -1.55 3.76 -0.10 -0.84 115.29 116.89 1mg9 s HIS 22 Ca 0.56 1.50 0.08 0.00 -0.15 0.00 0.00 55.06 57.04 1mg9 s HIS 22 Cb -0.29 -3.55 0.55 0.00 1.11 0.00 0.00 32.58 30.40 1mg9 s HIS 22 CO 0.69 -1.51 1.76 1.49 -0.85 0.00 0.00 174.74 176.32 1mg9 h GLU 23 N 3.32 0.23 -4.83 1.40 4.81 -1.09 -3.39 114.58 115.03 1mg9 h GLU 23 Ca -0.48 -0.09 -0.39 0.00 -0.13 0.00 0.00 59.36 58.26 1mg9 h GLU 23 Cb 1.23 -0.01 -0.27 0.00 0.63 0.00 0.00 28.75 30.32 1mg9 h GLU 23 CO 0.65 0.54 -0.78 -0.06 -0.73 0.00 0.00 179.01 178.64 1mg9 s PHE 24 N -4.29 0.88 -0.38 0.92 0.40 -1.26 -1.31 117.98 112.95 1mg9 s PHE 24 Ca -0.05 -0.23 -0.17 0.00 -0.60 0.00 0.00 56.93 55.89 1mg9 s PHE 24 Cb 0.14 -0.55 0.00 0.00 0.51 0.00 0.00 43.02 43.12 1mg9 s PHE 24 CO 0.76 -0.01 0.42 1.41 0.70 0.00 0.00 175.22 178.50 1mg9 s MET 25 N -0.53 3.37 0.54 0.44 -2.45 0.13 -4.86 119.30 115.95 1mg9 s MET 25 Ca 0.02 -0.52 0.08 0.00 -1.25 0.00 0.00 55.69 54.02 1mg9 s MET 25 Cb -0.05 -3.88 0.07 0.00 1.25 0.00 0.00 34.83 32.22 1mg9 s MET 25 CO 0.00 -0.69 0.75 0.95 1.05 0.00 0.00 175.02 177.08 1mg9 s THR 26 N 2.14 2.41 0.45 10.11 -4.23 -1.26 -2.30 115.64 122.97 1mg9 s THR 26 Ca 0.13 -0.95 0.14 0.00 -1.18 0.00 0.00 61.69 59.83 1mg9 s THR 26 Cb -0.17 -2.46 0.21 0.00 1.34 0.00 0.00 72.50 71.42 1mg9 s THR 26 CO 0.13 0.00 2.03 0.58 -0.54 0.00 0.00 174.62 176.81 1mg9 h VAL 27 N 0.24 1.10 -0.34 2.29 2.07 -1.95 -1.39 116.25 118.27 1mg9 h VAL 27 Ca -0.34 -0.46 -0.14 0.00 0.82 0.00 0.00 66.70 66.59 1mg9 h VAL 27 Cb 1.28 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1mg9 h VAL 27 CO 0.42 0.14 -0.35 -0.33 0.02 0.00 0.00 177.57 177.47 1mg9 h GLU 28 N 0.07 0.76 -0.55 1.57 3.07 -1.98 0.20 114.58 117.73 1mg9 h GLU 28 Ca 0.02 -0.37 0.01 0.00 -0.50 0.00 0.00 59.36 58.51 1mg9 h GLU 28 Cb 0.22 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 1mg9 h GLU 28 CO 0.01 0.99 0.36 0.45 -1.40 0.00 0.00 179.01 179.43 1mg9 h HIS 29 N 0.64 0.70 0.21 4.33 3.86 -1.67 -1.78 115.15 121.44 1mg9 h HIS 29 Ca 0.06 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1mg9 h HIS 29 Cb 0.89 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 1mg9 h HIS 29 CO 0.05 0.44 -0.26 1.25 0.86 0.00 0.00 177.93 180.26 1mg9 h LEU 30 N 0.75 -0.72 -0.58 2.43 6.46 -0.77 -2.04 115.31 120.84 1mg9 h LEU 30 Ca 0.20 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 58.06 1mg9 h LEU 30 Cb -0.08 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 1mg9 h LEU 30 CO -0.04 -0.37 0.36 0.25 -0.62 0.00 0.00 178.44 178.01 1mg9 h LEU 31 N -0.53 0.59 -0.83 2.25 5.85 -0.73 -0.81 115.31 121.10 1mg9 h LEU 31 Ca 0.01 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1mg9 h LEU 31 Cb 0.51 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1mg9 h LEU 31 CO -0.09 0.41 0.53 0.25 -0.34 0.00 0.00 178.44 179.20 1mg9 h LEU 32 N 0.71 0.88 -1.16 2.25 6.46 -1.18 -0.36 115.31 122.91 1mg9 h LEU 32 Ca 0.23 -0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.90 1mg9 h LEU 32 Cb 0.01 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 1mg9 h LEU 32 CO -0.10 0.60 -0.35 0.00 -0.62 0.00 0.00 178.44 177.97 1mg9 h ALA 33 N 1.35 1.30 0.00 1.25 0.00 -0.90 -2.49 119.26 119.77 1mg9 h ALA 33 Ca 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1mg9 h ALA 33 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mg9 h ALA 33 CO -0.12 0.50 -0.05 -0.07 0.00 0.00 0.00 179.25 179.51 1mg9 h LEU 34 N 0.11 0.00 -2.13 0.00 3.38 0.38 -2.70 115.31 114.34 1mg9 h LEU 34 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1mg9 h LEU 34 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1mg9 h LEU 34 CO 0.05 0.05 -0.06 -0.07 0.09 0.00 0.00 178.44 178.49 1mg9 h LEU 35 N 0.00 0.00 -1.86 1.67 3.38 -0.89 0.58 115.31 118.20 1mg9 h LEU 35 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mg9 h LEU 35 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1mg9 h LEU 35 CO 0.01 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.40 1mg9 n SER 36 N -3.94 2.83 -4.62 -0.43 7.64 -1.02 -4.49 113.62 109.59 1mg9 n SER 36 Ca -0.03 -1.90 -0.41 0.00 1.01 0.00 0.00 58.87 57.54 1mg9 n SER 36 Cb 0.15 -0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 1mg9 n SER 36 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1mg9 s ASN 37 N -1.76 6.62 0.17 6.43 2.47 0.20 -4.96 114.94 124.11 1mg9 s ASN 37 Ca 0.34 0.68 -0.22 0.00 0.42 0.00 0.00 52.86 54.07 1mg9 s ASN 37 Cb 0.21 -2.37 0.07 0.00 -1.45 0.00 0.00 41.25 37.71 1mg9 s ASN 37 CO 0.31 -0.50 1.60 1.55 -3.72 0.00 0.00 177.10 176.34 1mg9 h PRO 38 N 8.00 -0.22 -0.71 0.43 0.13 -1.89 1.24 132.00 138.98 1mg9 h PRO 38 Ca -0.25 0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.99 1mg9 h PRO 38 Cb 1.11 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1mg9 h PRO 38 CO 0.83 -0.15 0.34 1.03 -0.23 0.00 0.00 178.00 179.82 1mg9 h SER 39 N -0.23 0.43 0.04 1.44 0.87 -1.93 0.96 113.55 115.14 1mg9 h SER 39 Ca 0.18 0.07 -0.27 0.00 -1.23 0.00 0.00 61.79 60.53 1mg9 h SER 39 Cb 0.53 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1mg9 h SER 39 CO -0.54 0.24 -1.09 0.00 -0.53 0.00 0.00 176.83 174.91 1mg9 h ALA 40 N 1.44 0.08 -0.37 6.23 0.00 -1.45 -3.09 119.26 122.10 1mg9 h ALA 40 Ca 0.35 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1mg9 h ALA 40 Cb 0.39 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1mg9 h ALA 40 CO -0.28 0.67 0.18 -0.09 0.00 0.00 0.00 179.25 179.73 1mg9 h ARG 41 N 0.34 0.54 -0.55 0.00 2.43 0.18 -2.41 114.38 114.90 1mg9 h ARG 41 Ca -0.15 -0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1mg9 h ARG 41 Cb 1.76 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 31.16 1mg9 h ARG 41 CO 0.21 0.48 0.26 1.49 -1.51 0.00 0.00 179.97 180.90 1mg9 h GLU 42 N 0.47 0.48 -0.74 0.20 4.81 -0.89 0.21 114.58 119.12 1mg9 h GLU 42 Ca 0.13 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1mg9 h GLU 42 Cb 0.12 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1mg9 h GLU 42 CO -0.02 0.32 0.31 0.00 -0.73 0.00 0.00 179.01 178.90 1mg9 h ALA 43 N 1.32 0.96 -0.22 2.92 0.00 -1.43 0.13 119.26 122.94 1mg9 h ALA 43 Ca 0.26 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1mg9 h ALA 43 Cb 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1mg9 h ALA 43 CO -0.20 0.56 -0.20 -0.07 0.00 0.00 0.00 179.25 179.34 1mg9 h LEU 44 N 1.06 0.56 -0.99 0.00 3.38 -0.91 -1.72 115.31 116.68 1mg9 h LEU 44 Ca 0.25 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1mg9 h LEU 44 Cb 0.18 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1mg9 h LEU 44 CO -0.02 0.91 0.62 -0.33 0.09 0.00 0.00 178.44 179.70 1mg9 h GLU 45 N 0.21 1.31 0.00 1.13 5.08 -0.41 0.12 114.58 122.02 1mg9 h GLU 45 Ca 0.04 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1mg9 h GLU 45 Cb 0.74 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1mg9 h GLU 45 CO 0.05 0.89 -0.03 0.00 -1.00 0.00 0.00 179.01 178.91 1mg9 h ALA 46 N 1.35 1.10 -0.52 3.43 0.00 -0.52 -0.28 119.26 123.82 1mg9 h ALA 46 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1mg9 h ALA 46 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1mg9 h ALA 46 CO -0.07 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1mg9 n SER 48 N 1.26 -5.69 -4.58 0.00 7.64 -0.12 -4.81 113.62 107.32 1mg9 n SER 48 Ca 0.20 -0.81 -0.34 0.00 1.01 0.00 0.00 58.87 58.93 1mg9 n SER 48 Cb 0.52 -4.57 -0.11 0.00 -1.01 0.00 0.00 64.21 59.05 1mg9 n SER 48 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1mg9 s VAL 49 N -3.43 3.85 -0.78 0.44 -7.23 -1.14 -5.04 120.40 107.07 1mg9 s VAL 49 Ca 0.42 -0.41 -0.26 0.00 -1.81 0.00 0.00 61.98 59.92 1mg9 s VAL 49 Cb -0.09 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 1mg9 s VAL 49 CO 0.78 0.58 1.69 -0.62 -0.31 0.00 0.00 175.10 177.22 1mg9 s ASP 50 N -0.59 5.63 0.55 4.85 -1.08 -1.26 -4.80 116.67 119.96 1mg9 s ASP 50 Ca 0.09 -0.40 0.35 0.00 -0.52 0.00 0.00 52.55 52.08 1mg9 s ASP 50 Cb -0.12 -2.55 1.59 0.00 -1.46 0.00 0.00 42.92 40.38 1mg9 s ASP 50 CO 0.02 -2.22 2.05 -0.07 0.52 0.00 0.00 175.17 175.47 1mg9 h LEU 51 N 15.47 0.00 -0.12 -1.34 3.38 -1.97 -2.40 115.31 128.33 1mg9 h LEU 51 Ca -0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1mg9 h LEU 51 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1mg9 h LEU 51 CO 1.26 0.00 -0.16 0.58 0.09 0.00 0.00 178.44 180.21 1mg9 h VAL 52 N 0.00 1.37 0.34 1.22 2.07 -2.00 -2.80 116.25 116.44 1mg9 h VAL 52 Ca 0.00 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1mg9 h VAL 52 Cb 0.36 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1mg9 h VAL 52 CO 0.00 0.40 -0.16 0.00 0.02 0.00 0.00 177.57 177.83 1mg9 h ALA 53 N 0.57 -0.45 -0.76 1.67 0.00 -1.91 -2.79 119.26 115.58 1mg9 h ALA 53 Ca 0.01 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.91 1mg9 h ALA 53 Cb 0.72 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 1mg9 h ALA 53 CO 0.04 -0.57 0.00 1.25 0.00 0.00 0.00 179.25 179.97 1mg9 h LEU 54 N -0.82 -0.36 -1.06 0.00 6.46 -1.55 0.61 115.31 118.60 1mg9 h LEU 54 Ca -0.05 0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1mg9 h LEU 54 Cb 0.52 0.35 -0.03 0.00 -0.73 0.00 0.00 40.66 40.77 1mg9 h LEU 54 CO 0.08 -0.19 0.36 -0.09 -0.62 0.00 0.00 178.44 177.98 1mg9 h ARG 55 N 0.10 1.03 -0.18 1.25 2.43 -1.52 0.14 114.38 117.62 1mg9 h ARG 55 Ca 0.42 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1mg9 h ARG 55 Cb 0.74 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1mg9 h ARG 55 CO -0.68 0.78 0.03 1.96 -1.51 0.00 0.00 179.97 180.55 1mg9 h GLN 56 N 1.03 0.30 0.15 0.20 4.20 0.28 -1.51 115.11 119.76 1mg9 h GLN 56 Ca 0.25 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1mg9 h GLN 56 Cb 0.08 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1mg9 h GLN 56 CO -0.04 0.47 -0.07 0.93 -0.67 0.00 0.00 178.83 179.46 1mg9 h GLU 57 N 0.09 -0.19 -0.35 1.46 5.08 0.03 -0.86 114.58 119.84 1mg9 h GLU 57 Ca 0.05 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1mg9 h GLU 57 Cb 0.32 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1mg9 h GLU 57 CO 0.00 -0.09 0.21 -0.07 -1.00 0.00 0.00 179.01 178.07 1mg9 h LEU 58 N -0.24 0.35 -0.94 1.33 3.38 -0.99 0.82 115.31 119.03 1mg9 h LEU 58 Ca -0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1mg9 h LEU 58 Cb 0.19 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1mg9 h LEU 58 CO 0.03 0.26 0.47 -0.33 0.09 0.00 0.00 178.44 178.96 1mg9 h GLU 59 N 0.44 1.22 -0.38 1.13 5.08 -1.20 0.49 114.58 121.35 1mg9 h GLU 59 Ca 0.14 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1mg9 h GLU 59 Cb -0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1mg9 h GLU 59 CO -0.05 0.90 -0.29 0.00 -1.00 0.00 0.00 179.01 178.56 1mg9 h ALA 60 N 1.29 0.76 -0.32 3.43 0.00 -0.69 -2.66 119.26 121.08 1mg9 h ALA 60 Ca 0.31 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1mg9 h ALA 60 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1mg9 h ALA 60 CO -0.05 0.65 -0.10 0.35 0.00 0.00 0.00 179.25 180.10 1mg9 h PHE 61 N 0.70 0.72 -0.59 0.00 3.57 -0.32 -2.77 116.94 118.24 1mg9 h PHE 61 Ca 0.08 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 1mg9 h PHE 61 Cb 0.83 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1mg9 h PHE 61 CO 0.05 0.82 0.32 0.82 -2.23 0.00 0.00 178.31 178.09 1mg9 h ILE 62 N 0.40 1.19 -0.19 1.41 2.04 -0.87 -1.46 117.51 120.03 1mg9 h ILE 62 Ca 0.08 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1mg9 h ILE 62 Cb 0.61 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1mg9 h ILE 62 CO 0.04 0.21 0.10 -0.08 0.00 0.00 0.00 178.15 178.42 1mg9 h GLU 63 N 0.80 0.27 0.00 2.37 4.81 -1.48 -1.84 114.58 119.50 1mg9 h GLU 63 Ca 0.21 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1mg9 h GLU 63 Cb 0.05 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1mg9 h GLU 63 CO -0.03 0.27 -0.21 0.37 -0.73 0.00 0.00 179.01 178.68 1mg9 h GLN 64 N 0.19 0.00 0.00 1.92 4.15 -1.39 -3.37 115.11 116.61 1mg9 h GLN 64 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1mg9 h GLN 64 Cb 0.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1mg9 h GLN 64 CO -0.01 0.21 -0.53 0.25 -1.93 0.00 0.00 178.83 176.81 1mg9 n THR 65 N -3.20 0.00 -3.05 2.39 -2.24 -0.56 -4.97 114.28 102.65 1mg9 n THR 65 Ca 0.02 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 1mg9 n THR 65 Cb 0.54 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 1mg9 n THR 65 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1mg9 s THR 66 N -1.80 4.88 0.42 4.28 2.01 -0.70 -5.03 115.64 119.69 1mg9 s THR 66 Ca 0.01 0.94 -0.26 0.00 0.31 0.00 0.00 61.69 62.69 1mg9 s THR 66 Cb 0.05 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.40 1mg9 s THR 66 CO 0.27 -0.20 1.43 -2.84 -0.69 0.00 0.00 174.62 172.59 1mg9 s PRO 67 N 2.75 3.88 -0.04 4.92 0.02 -1.26 -4.86 135.00 140.42 1mg9 s PRO 67 Ca 0.28 2.44 -0.04 0.00 0.02 0.00 0.00 61.00 63.70 1mg9 s PRO 67 Cb -0.15 -2.79 -0.04 0.00 0.02 0.00 0.00 34.50 31.55 1mg9 s PRO 67 CO 0.12 -0.67 0.17 0.08 -0.33 0.00 0.00 177.00 176.38 1mg9 s VAL 68 N -1.18 5.45 0.29 3.83 1.01 -1.26 -0.48 120.40 128.06 1mg9 s VAL 68 Ca 0.57 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 1mg9 s VAL 68 Cb -0.44 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 1mg9 s VAL 68 CO 0.58 0.40 1.08 -0.76 0.00 0.00 0.00 175.10 176.40 1mg9 s LEU 69 N -1.69 4.52 0.41 3.92 1.43 -0.02 -4.79 118.68 122.45 1mg9 s LEU 69 Ca 0.24 2.22 -0.25 0.00 -1.03 0.00 0.00 54.13 55.31 1mg9 s LEU 69 Cb -0.12 -3.68 -0.08 0.00 0.03 0.00 0.00 46.19 42.33 1mg9 s LEU 69 CO 0.15 -0.15 1.17 -2.84 0.23 0.00 0.00 176.35 174.91 1mg9 s PRO 70 N -1.52 4.02 0.66 1.29 0.02 -1.26 -4.87 135.00 133.34 1mg9 s PRO 70 Ca 0.45 1.84 0.24 0.00 0.02 0.00 0.00 61.00 63.55 1mg9 s PRO 70 Cb -0.30 -2.64 1.28 0.00 0.02 0.00 0.00 34.50 32.85 1mg9 s PRO 70 CO 0.39 -0.35 1.72 0.00 -0.33 0.00 0.00 177.00 178.43 1mg9 h ALA 71 N 2.57 1.52 -2.79 -1.55 0.00 -2.01 -3.53 119.26 113.47 1mg9 h ALA 71 Ca -0.49 -0.00 -0.77 0.00 0.00 0.00 0.00 54.91 53.66 1mg9 h ALA 71 Cb 1.24 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.73 1mg9 h ALA 71 CO 0.62 -0.50 0.13 -1.54 0.00 0.00 0.00 179.25 177.96 1mg9 s SER 72 N -4.15 6.62 0.00 0.00 1.04 -1.26 -5.30 113.70 110.64 1mg9 s SER 72 Ca -0.03 -3.21 0.00 0.00 0.48 0.00 0.00 55.95 53.19 1mg9 s SER 72 Cb 0.07 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1mg9 s SER 72 CO 0.23 -0.38 0.00 -2.11 0.98 0.00 0.00 173.24 171.96 1mg9 n ARG 76 N 3.17 0.00 -2.87 4.02 1.85 -1.26 -5.17 116.66 116.40 1mg9 n ARG 76 Ca 0.18 0.22 -0.21 0.00 -1.00 0.00 0.00 57.85 57.05 1mg9 n ARG 76 Cb 0.41 -0.45 0.07 0.00 -1.05 0.00 0.00 32.46 31.44 1mg9 n ARG 76 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1mg9 s ASP 77 N 0.00 4.94 0.36 2.89 3.68 -1.26 -5.05 116.67 122.23 1mg9 s ASP 77 Ca 0.00 -0.59 -0.28 0.00 2.13 0.00 0.00 52.55 53.80 1mg9 s ASP 77 Cb 0.00 0.01 -0.11 0.00 -1.45 0.00 0.00 42.92 41.37 1mg9 s ASP 77 CO 0.00 -1.43 1.45 0.41 0.13 0.00 0.00 175.17 175.73 1mg9 n THR 78 N -2.39 1.92 -4.52 1.71 -1.04 -1.26 -4.96 114.28 103.74 1mg9 n THR 78 Ca 0.14 -0.48 -0.23 0.00 -2.04 0.00 0.00 64.05 61.44 1mg9 n THR 78 Cb 0.61 -1.88 -0.14 0.00 -1.82 0.00 0.00 70.33 67.10 1mg9 n THR 78 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1mg9 s GLN 79 N -1.93 1.16 0.27 -2.82 2.00 -0.43 -4.92 119.66 112.99 1mg9 s GLN 79 Ca 0.55 -0.79 -0.29 0.00 -2.00 0.00 0.00 55.36 52.82 1mg9 s GLN 79 Cb -0.50 -1.20 -0.09 0.00 0.80 0.00 0.00 33.01 32.02 1mg9 s GLN 79 CO 0.62 0.31 1.02 -2.14 -0.50 0.00 0.00 175.29 174.60 1mg9 s PRO 80 N -1.03 4.73 0.74 1.67 0.02 -1.26 0.17 135.00 140.04 1mg9 s PRO 80 Ca 0.05 1.64 -0.11 0.00 0.02 0.00 0.00 61.00 62.60 1mg9 s PRO 80 Cb -0.08 -3.21 0.04 0.00 0.02 0.00 0.00 34.50 31.27 1mg9 s PRO 80 CO 0.01 0.35 1.08 0.95 -0.33 0.00 0.00 177.00 179.06 1mg9 s THR 81 N -1.19 3.64 0.45 0.99 -4.23 -0.97 -4.85 115.64 109.47 1mg9 s THR 81 Ca 0.43 0.53 0.16 0.00 -1.18 0.00 0.00 61.69 61.64 1mg9 s THR 81 Cb -0.29 -3.14 0.20 0.00 1.34 0.00 0.00 72.50 70.61 1mg9 s THR 81 CO 0.36 -0.70 2.00 -0.07 -0.54 0.00 0.00 174.62 175.68 1mg9 h LEU 82 N -0.95 0.00 -0.28 4.79 3.38 -1.96 -1.64 115.31 118.66 1mg9 h LEU 82 Ca -0.44 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1mg9 h LEU 82 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1mg9 h LEU 82 CO 0.54 0.17 -0.01 -1.28 0.09 0.00 0.00 178.44 177.95 1mg9 h SER 83 N 0.00 0.49 -0.13 -0.43 0.87 -1.97 -1.88 113.55 110.50 1mg9 h SER 83 Ca -0.00 -0.32 0.03 0.00 -1.23 0.00 0.00 61.79 60.27 1mg9 h SER 83 Cb 0.32 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1mg9 h SER 83 CO 0.02 0.69 -0.04 0.15 -0.53 0.00 0.00 176.83 177.12 1mg9 h PHE 84 N 0.28 -0.09 -0.83 2.24 3.57 -1.65 -1.80 116.94 118.66 1mg9 h PHE 84 Ca 0.08 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1mg9 h PHE 84 Cb 0.45 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 1mg9 h PHE 84 CO 0.04 -0.07 0.50 1.96 -2.23 0.00 0.00 178.31 178.51 1mg9 h GLN 85 N -0.01 0.88 -0.43 1.11 4.20 -1.20 -2.30 115.11 117.35 1mg9 h GLN 85 Ca 0.07 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1mg9 h GLN 85 Cb 0.11 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1mg9 h GLN 85 CO -0.14 0.58 0.15 0.00 -0.67 0.00 0.00 178.83 178.75 1mg9 h ARG 86 N 0.91 0.66 0.03 1.46 3.08 -1.02 -1.13 114.38 118.36 1mg9 h ARG 86 Ca 0.37 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.31 1mg9 h ARG 86 Cb 0.20 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1mg9 h ARG 86 CO -0.18 0.63 -0.17 0.28 -1.07 0.00 0.00 179.97 179.45 1mg9 h VAL 87 N 0.55 0.59 -0.86 2.04 2.07 -0.81 0.18 116.25 120.02 1mg9 h VAL 87 Ca 0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1mg9 h VAL 87 Cb 0.23 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1mg9 h VAL 87 CO -0.01 0.00 0.44 0.25 0.02 0.00 0.00 177.57 178.27 1mg9 h LEU 88 N -0.30 1.10 -0.89 2.57 5.85 -1.38 -1.57 115.31 120.68 1mg9 h LEU 88 Ca 0.05 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 1mg9 h LEU 88 Cb 0.35 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1mg9 h LEU 88 CO -0.15 0.91 -0.51 -0.61 -0.34 0.00 0.00 178.44 177.74 1mg9 h GLN 89 N 1.22 0.10 -0.44 1.25 4.15 -0.83 -2.12 115.11 118.44 1mg9 h GLN 89 Ca 0.30 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.56 1mg9 h GLN 89 Cb 0.08 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1mg9 h GLN 89 CO -0.04 0.59 -0.12 -0.09 -1.93 0.00 0.00 178.83 177.24 1mg9 h ARG 90 N 0.08 0.85 -0.22 1.69 2.43 -0.03 -1.68 114.38 117.50 1mg9 h ARG 90 Ca -0.00 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 1mg9 h ARG 90 Cb 0.94 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1mg9 h ARG 90 CO 0.07 0.97 0.01 0.00 -1.51 0.00 0.00 179.97 179.51 1mg9 h ALA 91 N 0.86 0.29 -0.21 2.80 0.00 -1.15 -1.73 119.26 120.12 1mg9 h ALA 91 Ca 0.11 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1mg9 h ALA 91 Cb 0.66 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1mg9 h ALA 91 CO 0.05 0.00 0.06 0.28 0.00 0.00 0.00 179.25 179.64 1mg9 h VAL 92 N 0.15 0.93 0.45 0.00 2.07 -1.36 -2.13 116.25 116.36 1mg9 h VAL 92 Ca 0.06 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1mg9 h VAL 92 Cb 0.38 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1mg9 h VAL 92 CO 0.01 0.03 -0.30 0.15 0.02 0.00 0.00 177.57 177.48 1mg9 h PHE 93 N 0.15 -0.79 -0.95 1.57 3.57 -1.24 -2.03 116.94 117.22 1mg9 h PHE 93 Ca 0.09 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.70 1mg9 h PHE 93 Cb 0.07 0.29 -0.08 0.00 2.79 0.00 0.00 35.95 39.02 1mg9 h PHE 93 CO -0.13 -0.45 0.58 1.25 -2.23 0.00 0.00 178.31 177.32 1mg9 h HIS 94 N -0.73 1.05 -0.50 0.41 2.76 -1.23 0.50 115.15 117.41 1mg9 h HIS 94 Ca -0.05 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 1mg9 h HIS 94 Cb 0.61 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1mg9 h HIS 94 CO -0.11 0.41 0.21 0.28 -1.30 0.00 0.00 177.93 177.42 1mg9 h VAL 95 N 0.92 1.21 -0.06 5.26 2.07 -1.22 0.01 116.25 124.44 1mg9 h VAL 95 Ca 0.47 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1mg9 h VAL 95 Cb 0.47 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1mg9 h VAL 95 CO -0.27 0.24 0.01 -0.61 0.02 0.00 0.00 177.57 176.96 1mg9 h GLN 96 N 0.67 0.10 0.00 1.57 -0.00 -0.54 -0.67 115.11 116.25 1mg9 h GLN 96 Ca 0.17 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 1mg9 h GLN 96 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.64 1mg9 h GLN 96 CO -0.02 0.35 0.00 -1.13 0.00 0.00 0.00 178.83 178.03 1mg9 n SER 97 N -4.89 0.00 -0.67 -0.69 3.41 0.17 -2.08 113.62 108.87 1mg9 n SER 97 Ca -0.07 0.26 0.06 0.00 -0.26 0.00 0.00 58.87 58.86 1mg9 n SER 97 Cb 0.17 -0.39 0.15 0.00 -0.26 0.00 0.00 64.21 63.89 1mg9 n SER 97 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1mg9 n SER 98 N -1.39 2.91 -1.60 4.04 3.41 -0.02 -4.99 113.62 115.98 1mg9 n SER 98 Ca 0.06 -1.96 -0.10 0.00 -0.26 0.00 0.00 58.87 56.62 1mg9 n SER 98 Cb 0.16 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1mg9 n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mg9 n GLY 99 N 0.60 0.24 3.57 5.00 0.00 -0.88 -5.04 105.19 108.67 1mg9 n GLY 99 Ca 0.12 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1mg9 n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mg9 s ARG 100 N -5.26 2.04 -0.07 1.61 1.81 -0.28 -5.05 118.95 113.75 1mg9 s ARG 100 Ca 0.18 -1.48 -0.13 0.00 -1.72 0.00 0.00 55.73 52.58 1mg9 s ARG 100 Cb -0.08 -2.04 -0.29 0.00 -0.45 0.00 0.00 34.95 32.09 1mg9 s ARG 100 CO 0.23 0.37 0.61 -0.91 -0.68 0.00 0.00 175.30 174.92 1mg9 h ASN 101 N 2.27 0.51 -3.62 0.23 -0.26 -1.97 -3.39 115.58 109.34 1mg9 h ASN 101 Ca -0.44 -0.91 -0.67 0.00 -0.56 0.00 0.00 56.30 53.72 1mg9 h ASN 101 Cb 1.24 -0.17 -0.18 0.00 -1.06 0.00 0.00 38.32 38.15 1mg9 h ASN 101 CO 0.58 1.72 -0.80 -1.61 -1.06 0.00 0.00 177.43 176.27 1mg9 s GLU 102 N -2.53 1.77 -0.18 0.81 2.02 -1.26 -1.72 118.70 117.61 1mg9 s GLU 102 Ca -0.18 -1.22 -0.08 0.00 0.02 0.00 0.00 54.97 53.51 1mg9 s GLU 102 Cb 0.05 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 1mg9 s GLU 102 CO 0.81 0.47 0.11 0.08 0.02 0.00 0.00 175.26 176.75 1mg9 s VAL 103 N -1.23 5.22 0.46 2.63 1.01 -1.26 -4.69 120.40 122.54 1mg9 s VAL 103 Ca 0.19 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1mg9 s VAL 103 Cb -0.10 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 1mg9 s VAL 103 CO 0.10 0.48 0.29 0.42 0.00 0.00 0.00 175.10 176.40 1mg9 s THR 104 N 0.06 2.13 0.33 3.92 -4.23 -1.26 -1.51 115.64 115.08 1mg9 s THR 104 Ca 0.08 -1.55 0.05 0.00 -1.18 0.00 0.00 61.69 59.09 1mg9 s THR 104 Cb -0.12 -2.69 0.13 0.00 1.34 0.00 0.00 72.50 71.16 1mg9 s THR 104 CO -0.00 0.00 1.83 1.23 -0.54 0.00 0.00 174.62 177.14 1mg9 h GLY 105 N 1.10 0.46 1.32 3.99 0.00 -1.95 -2.23 103.07 105.76 1mg9 h GLY 105 Ca -0.41 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 1mg9 h GLY 105 CO 0.63 0.28 0.03 0.00 0.00 0.00 0.00 176.54 177.49 1mg9 h ALA 106 N 1.48 1.11 -0.57 3.60 0.00 -1.92 0.30 119.26 123.26 1mg9 h ALA 106 Ca 0.08 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1mg9 h ALA 106 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1mg9 h ALA 106 CO 0.03 0.58 -0.02 -0.91 0.00 0.00 0.00 179.25 178.92 1mg9 h ASN 107 N 0.78 1.00 -0.29 0.00 2.35 -1.81 -0.52 115.58 117.09 1mg9 h ASN 107 Ca 0.16 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 1mg9 h ASN 107 Cb 0.42 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1mg9 h ASN 107 CO 0.01 1.08 0.03 0.58 -1.65 0.00 0.00 177.43 177.48 1mg9 h VAL 108 N 0.90 1.24 -0.70 2.81 2.07 -0.95 -1.92 116.25 119.70 1mg9 h VAL 108 Ca 0.16 -0.86 0.11 0.00 0.82 0.00 0.00 66.70 66.93 1mg9 h VAL 108 Cb 0.58 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 1mg9 h VAL 108 CO 0.03 0.28 0.30 0.25 0.02 0.00 0.00 177.57 178.45 1mg9 h LEU 109 N 0.30 0.34 -0.27 2.57 5.85 -0.17 -0.97 115.31 122.95 1mg9 h LEU 109 Ca 0.08 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1mg9 h LEU 109 Cb 0.38 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1mg9 h LEU 109 CO 0.01 0.18 0.09 0.58 -0.34 0.00 0.00 178.44 178.96 1mg9 h VAL 110 N 0.50 0.93 0.00 1.05 2.07 -0.74 -2.10 116.25 117.96 1mg9 h VAL 110 Ca 0.36 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1mg9 h VAL 110 Cb 0.46 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1mg9 h VAL 110 CO -0.32 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.31 1mg9 h ALA 111 N 1.17 1.00 0.00 1.67 0.00 -0.41 -2.42 119.26 120.27 1mg9 h ALA 111 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1mg9 h ALA 111 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1mg9 h ALA 111 CO -0.12 0.00 -0.35 0.82 0.00 0.00 0.00 179.25 179.60 1mg9 h ILE 112 N 0.00 1.21 0.00 0.00 2.04 -0.73 -2.76 117.51 117.26 1mg9 h ILE 112 Ca 0.00 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1mg9 h ILE 112 Cb 0.05 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1mg9 h ILE 112 CO 0.00 0.34 0.00 -0.26 0.00 0.00 0.00 178.15 178.23 1mg9 h PHE 113 N 0.00 0.00 0.00 1.37 -1.00 -1.55 -2.02 116.94 113.74 1mg9 h PHE 113 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1mg9 h PHE 113 Cb 0.63 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.19 1mg9 h PHE 113 CO 0.00 0.00 0.00 0.77 -1.61 0.00 0.00 178.31 177.47 1mg9 h SER 114 N 0.00 0.00 -1.99 2.17 0.02 -1.69 -3.38 113.55 108.69 1mg9 h SER 114 Ca 0.00 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.22 1mg9 h SER 114 Cb 0.14 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.51 1mg9 h SER 114 CO 0.00 0.00 1.49 -0.62 -1.14 0.00 0.00 176.83 176.56 1mg9 n GLU 115 N -2.64 3.37 -0.30 3.45 -0.58 -0.76 -4.87 120.64 118.31 1mg9 n GLU 115 Ca 0.04 -3.77 0.03 0.00 -0.42 0.00 0.00 57.16 53.04 1mg9 n GLU 115 Cb 0.43 -3.08 0.10 0.00 -0.57 0.00 0.00 31.44 28.32 1mg9 n GLU 115 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1mg9 h GLN 116 N 7.07 -0.01 -0.70 3.49 1.08 -1.84 -1.08 115.11 123.11 1mg9 h GLN 116 Ca 0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 1mg9 h GLN 116 Cb 0.85 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.29 1mg9 h GLN 116 CO 1.29 -0.01 0.00 0.39 -0.95 0.00 0.00 178.83 179.56 1mg9 n GLU 117 N -5.54 2.68 -3.36 1.46 1.02 -1.26 -4.75 120.64 110.89 1mg9 n GLU 117 Ca 0.12 -1.49 -0.37 0.00 -0.02 0.00 0.00 57.16 55.40 1mg9 n GLU 117 Cb 0.43 -1.75 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 1mg9 n GLU 117 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1mg9 s SER 118 N -0.52 6.90 0.37 1.62 1.04 -0.41 -4.95 113.70 117.75 1mg9 s SER 118 Ca 0.26 1.11 0.06 0.00 0.48 0.00 0.00 55.95 57.86 1mg9 s SER 118 Cb 0.19 -2.30 0.72 0.00 0.10 0.00 0.00 66.02 64.73 1mg9 s SER 118 CO 0.10 0.19 1.96 -0.61 0.98 0.00 0.00 173.24 175.86 1mg9 h GLN 119 N 4.04 0.54 -0.38 4.02 5.75 -1.90 -2.52 115.11 124.65 1mg9 h GLN 119 Ca -0.49 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 57.96 1mg9 h GLN 119 Cb 1.20 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 1mg9 h GLN 119 CO 0.64 0.46 0.20 0.00 -2.65 0.00 0.00 178.83 177.48 1mg9 h ALA 120 N 1.62 0.47 -0.51 3.38 0.00 -1.91 0.84 119.26 123.15 1mg9 h ALA 120 Ca 0.13 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1mg9 h ALA 120 Cb 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1mg9 h ALA 120 CO -0.01 -0.16 0.21 0.00 0.00 0.00 0.00 179.25 179.29 1mg9 h ALA 121 N 1.19 0.66 -0.49 0.00 0.00 -1.70 -2.39 119.26 116.54 1mg9 h ALA 121 Ca 0.16 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1mg9 h ALA 121 Cb 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1mg9 h ALA 121 CO -0.10 0.27 0.28 -0.92 0.00 0.00 0.00 179.25 178.77 1mg9 h TYR 122 N 0.68 0.52 -0.34 0.00 3.20 -1.02 -1.83 116.97 118.18 1mg9 h TYR 122 Ca 0.17 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1mg9 h TYR 122 Cb 0.19 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1mg9 h TYR 122 CO 0.00 0.28 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.68 1mg9 h LEU 123 N 0.55 0.54 -0.32 2.82 3.38 -0.71 -0.75 115.31 120.83 1mg9 h LEU 123 Ca 0.20 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1mg9 h LEU 123 Cb 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1mg9 h LEU 123 CO -0.11 0.65 0.03 -0.07 0.09 0.00 0.00 178.44 179.03 1mg9 h LEU 124 N 0.53 0.53 -1.07 1.67 3.38 -1.09 -2.45 115.31 116.81 1mg9 h LEU 124 Ca 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1mg9 h LEU 124 Cb 0.43 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1mg9 h LEU 124 CO 0.02 0.68 0.06 -0.09 0.09 0.00 0.00 178.44 179.20 1mg9 h ARG 125 N 0.36 0.73 0.00 1.13 2.43 -1.04 -1.66 114.38 116.32 1mg9 h ARG 125 Ca 0.09 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1mg9 h ARG 125 Cb 0.39 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1mg9 h ARG 125 CO 0.01 0.70 -0.15 -0.22 -1.51 0.00 0.00 179.97 178.80 1mg9 h LYS 126 N 0.70 0.00 -0.71 0.20 3.64 -0.82 0.14 116.57 119.71 1mg9 h LYS 126 Ca 0.15 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1mg9 h LYS 126 Cb 0.34 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1mg9 h LYS 126 CO 0.01 0.15 0.07 0.72 -2.27 0.00 0.00 179.45 178.12 1mg9 n HIS 127 N -4.00 1.79 -3.87 1.91 8.25 -0.88 -4.93 115.22 113.49 1mg9 n HIS 127 Ca -0.02 -0.71 -0.30 0.00 -0.26 0.00 0.00 57.72 56.43 1mg9 n HIS 127 Cb 0.23 -0.48 0.03 0.00 1.12 0.00 0.00 29.99 30.88 1mg9 n HIS 127 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1mg9 n GLU 128 N 0.34 -5.57 -3.91 -0.41 1.02 0.48 -4.87 120.64 107.71 1mg9 n GLU 128 Ca 0.26 0.61 -0.35 0.00 -0.02 0.00 0.00 57.16 57.66 1mg9 n GLU 128 Cb 1.07 -5.51 -0.14 0.00 -0.02 0.00 0.00 31.44 26.85 1mg9 n GLU 128 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mg9 s VAL 129 N -3.28 3.28 0.45 2.62 1.01 -0.68 -5.01 120.40 118.79 1mg9 s VAL 129 Ca 0.65 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 62.12 1mg9 s VAL 129 Cb -0.33 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.55 1mg9 s VAL 129 CO 0.81 0.38 0.55 -0.94 0.00 0.00 0.00 175.10 175.90 1mg9 s SER 130 N 1.45 5.36 0.21 3.32 1.04 -1.26 -3.86 113.70 119.96 1mg9 s SER 130 Ca 0.05 -0.62 -0.08 0.00 0.48 0.00 0.00 55.95 55.78 1mg9 s SER 130 Cb -0.15 -0.42 0.13 0.00 0.10 0.00 0.00 66.02 65.69 1mg9 s SER 130 CO -0.04 -0.85 1.74 -0.09 0.98 0.00 0.00 173.24 174.99 1mg9 h ARG 131 N 0.67 1.17 -0.89 4.02 2.43 -1.97 -2.85 114.38 116.95 1mg9 h ARG 131 Ca -0.38 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1mg9 h ARG 131 Cb 1.28 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1mg9 h ARG 131 CO 0.48 0.99 0.54 1.25 -1.51 0.00 0.00 179.97 181.72 1mg9 h LEU 132 N 1.12 1.06 -0.58 3.80 5.85 -1.98 -0.71 115.31 123.88 1mg9 h LEU 132 Ca 0.24 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1mg9 h LEU 132 Cb 0.31 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1mg9 h LEU 132 CO -0.01 0.81 0.35 0.44 -0.34 0.00 0.00 178.44 179.69 1mg9 h ASP 133 N 1.22 0.56 -0.14 1.25 3.32 -1.90 0.17 116.42 120.90 1mg9 h ASP 133 Ca 0.32 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.20 1mg9 h ASP 133 Cb -0.06 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1mg9 h ASP 133 CO -0.06 0.39 -0.53 0.58 -1.72 0.00 0.00 179.24 177.90 1mg9 h VAL 134 N 0.69 1.30 -0.49 -1.35 2.07 -1.40 -2.73 116.25 114.34 1mg9 h VAL 134 Ca 0.23 -1.74 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 1mg9 h VAL 134 Cb 0.03 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1mg9 h VAL 134 CO -0.10 0.56 0.12 0.58 0.02 0.00 0.00 177.57 178.74 1mg9 h VAL 135 N 0.56 1.24 -0.68 2.57 2.07 -0.69 -2.02 116.25 119.31 1mg9 h VAL 135 Ca 0.02 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1mg9 h VAL 135 Cb 1.11 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1mg9 h VAL 135 CO 0.11 0.30 0.34 0.78 0.02 0.00 0.00 177.57 179.13 1mg9 h ASN 136 N 0.67 0.87 -0.70 0.57 2.35 -0.66 -1.56 115.58 117.12 1mg9 h ASN 136 Ca 0.15 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1mg9 h ASN 136 Cb 0.33 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1mg9 h ASN 136 CO 0.00 0.75 0.24 0.15 -1.65 0.00 0.00 177.43 176.91 1mg9 h PHE 137 N 0.94 1.10 0.36 1.19 3.57 -1.32 -1.10 116.94 121.67 1mg9 h PHE 137 Ca 0.23 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1mg9 h PHE 137 Cb 0.09 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1mg9 h PHE 137 CO 0.00 0.87 -0.17 0.82 -2.23 0.00 0.00 178.31 177.60 1mg9 h ILE 138 N 1.01 0.59 0.21 1.41 2.04 -1.11 -3.39 117.51 118.27 1mg9 h ILE 138 Ca 0.23 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1mg9 h ILE 138 Cb 0.27 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1mg9 h ILE 138 CO -0.01 0.10 -0.10 0.77 0.00 0.00 0.00 178.15 178.90 1mg9 h SER 139 N -0.83 -0.24 -2.03 1.72 4.64 -1.35 -3.47 113.55 112.00 1mg9 h SER 139 Ca -0.05 -0.20 -0.43 0.00 -0.47 0.00 0.00 61.79 60.64 1mg9 h SER 139 Cb 0.53 0.06 0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1mg9 h SER 139 CO 0.08 0.28 -0.15 -1.00 -0.87 0.00 0.00 176.83 175.17 1mg9 s HIS 140 N -3.03 2.88 0.24 4.77 3.76 -0.42 -5.04 115.29 118.45 1mg9 s HIS 140 Ca -0.09 -0.17 -0.06 0.00 -0.15 0.00 0.00 55.06 54.59 1mg9 s HIS 140 Cb 0.00 -2.51 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 1mg9 s HIS 140 CO 0.33 -0.59 -0.31 0.41 -0.85 0.00 0.00 174.74 173.73 1mg9 n GLY 141 N -2.07 -0.87 2.48 -2.22 0.00 -1.26 -4.15 105.19 97.10 1mg9 n GLY 141 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mg9 n GLY 141 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mg9 n THR 142 N -0.76 0.00 -1.47 2.61 -1.04 -1.26 -4.44 114.28 107.92 1mg9 n THR 142 Ca -0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 1mg9 n THR 142 Cb 0.17 -1.46 -0.10 0.00 -1.82 0.00 0.00 70.33 67.12 1mg9 n THR 142 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1mg9 n ARG 143 N 2.94 0.21 -2.19 -2.82 0.63 -1.26 -4.87 116.66 109.30 1mg9 n ARG 143 Ca 0.00 -0.96 -0.37 0.00 -0.92 0.00 0.00 57.85 55.61 1mg9 n ARG 143 Cb 0.00 -3.04 0.00 0.00 0.45 0.00 0.00 32.46 29.87 1mg9 n ARG 143 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1mg9 s LYS 144 N 7.93 3.55 0.37 -0.14 -0.14 -1.26 -4.37 119.74 125.68 1mg9 s LYS 144 Ca 0.79 1.79 0.15 0.00 -1.36 0.00 0.00 55.97 57.33 1mg9 s LYS 144 Cb -0.17 -2.27 1.00 0.00 -1.68 0.00 0.00 37.83 34.71 1mg9 s LYS 144 CO 0.17 -0.73 1.77 -0.44 -0.76 0.00 0.00 175.35 175.37 1mg9 h ASP 145 N 1.72 0.54 0.00 2.83 3.32 -1.74 -3.50 116.42 119.59 1mg9 h ASP 145 Ca -0.50 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1mg9 h ASP 145 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1mg9 h ASP 145 CO 0.59 0.13 0.00 -1.84 -1.72 0.00 0.00 179.24 176.40