#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9p s HIS 2 N 0.00 3.56 -0.11 1.45 5.65 -1.26 -4.60 115.29 119.97 1m9p s HIS 2 Ca 0.00 0.89 -0.02 0.00 0.25 0.00 0.00 55.06 56.18 1m9p s HIS 2 Cb 0.00 -2.48 -0.03 0.00 -1.18 0.00 0.00 32.58 28.89 1m9p s HIS 2 CO 0.00 0.28 -0.05 -0.51 -0.65 0.00 0.00 174.74 173.82 1m9p s LEU 3 N 0.22 3.26 0.27 8.88 1.43 -1.26 -5.09 118.68 126.39 1m9p s LEU 3 Ca 0.25 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 1m9p s LEU 3 Cb -0.15 -1.75 -0.11 0.00 0.03 0.00 0.00 46.19 44.21 1m9p s LEU 3 CO 0.10 0.27 1.50 0.28 0.23 0.00 0.00 176.35 178.74 1m9p s THR 4 N -0.25 2.39 0.58 5.49 -1.32 -1.26 -4.67 115.64 116.61 1m9p s THR 4 Ca 0.04 0.33 0.29 0.00 -1.21 0.00 0.00 61.69 61.14 1m9p s THR 4 Cb -0.13 -3.21 0.39 0.00 -1.51 0.00 0.00 72.50 68.04 1m9p s THR 4 CO 0.02 0.06 1.93 1.55 -2.21 0.00 0.00 174.62 175.97 1m9p h PRO 5 N 4.82 0.00 -0.54 7.08 0.13 -1.98 -0.58 132.00 140.92 1m9p h PRO 5 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1m9p h PRO 5 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1m9p h PRO 5 CO 0.77 0.00 0.21 0.87 -0.23 0.00 0.00 178.00 179.62 1m9p h LYS 6 N 0.00 0.82 -0.36 0.86 6.56 -2.00 -1.59 116.57 120.85 1m9p h LYS 6 Ca 0.22 -0.15 -0.08 0.00 -1.06 0.00 0.00 60.65 59.58 1m9p h LYS 6 Cb 1.12 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.63 1m9p h LYS 6 CO -0.00 0.72 -0.07 0.93 -2.06 0.00 0.00 179.45 178.97 1m9p h GLU 7 N 0.74 0.69 -0.02 3.15 5.08 -1.48 -2.82 114.58 119.92 1m9p h GLU 7 Ca 0.18 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1m9p h GLU 7 Cb 0.21 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1m9p h GLU 7 CO -0.01 0.84 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.46 1m9p h LYS 8 N 0.49 0.04 -0.15 2.33 1.63 -1.11 -0.06 116.57 119.75 1m9p h LYS 8 Ca 0.09 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.86 1m9p h LYS 8 Cb 0.57 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1m9p h LYS 8 CO 0.03 0.19 -0.02 0.77 -3.45 0.00 0.00 179.45 176.98 1m9p h SER 9 N 0.04 0.27 -0.31 4.20 0.02 -1.15 -3.13 113.55 113.49 1m9p h SER 9 Ca 0.01 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1m9p h SER 9 Cb 0.29 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1m9p h SER 9 CO 0.02 0.54 0.01 0.00 -1.14 0.00 0.00 176.83 176.26 1m9p h ALA 10 N 0.74 0.41 -0.67 3.77 0.00 -1.17 -2.74 119.26 119.60 1m9p h ALA 10 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1m9p h ALA 10 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1m9p h ALA 10 CO 0.01 0.15 0.28 -0.39 0.00 0.00 0.00 179.25 179.30 1m9p h VAL 11 N 0.34 1.23 -0.10 0.00 -1.51 -1.07 -1.14 116.25 114.00 1m9p h VAL 11 Ca 0.09 -0.69 -0.23 0.00 -1.23 0.00 0.00 66.70 64.64 1m9p h VAL 11 Cb 0.42 0.42 0.01 0.00 -2.13 0.00 0.00 31.29 30.00 1m9p h VAL 11 CO 0.01 0.28 -0.84 0.71 -1.23 0.00 0.00 177.57 176.50 1m9p h THR 12 N 0.96 1.30 -0.67 7.19 1.35 -1.60 -2.63 112.91 118.80 1m9p h THR 12 Ca 0.23 -2.09 -0.01 0.00 -0.55 0.00 0.00 66.41 63.98 1m9p h THR 12 Cb 0.16 2.12 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 1m9p h THR 12 CO -0.02 0.65 0.36 0.00 -0.25 0.00 0.00 175.52 176.26 1m9p h ALA 13 N 0.60 0.86 -0.36 6.62 0.00 -1.18 -1.80 119.26 124.01 1m9p h ALA 13 Ca -0.07 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1m9p h ALA 13 Cb 1.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1m9p h ALA 13 CO 0.16 0.39 -0.23 -0.07 0.00 0.00 0.00 179.25 179.50 1m9p h LEU 14 N 0.92 0.71 -0.54 0.00 -0.00 -1.23 -2.36 115.31 112.82 1m9p h LEU 14 Ca 0.24 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1m9p h LEU 14 Cb 0.05 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.52 1m9p h LEU 14 CO -0.04 0.92 0.00 -0.25 -0.00 0.00 0.00 178.44 179.08 1m9p h TRP 15 N 0.61 0.00 -0.11 1.13 2.91 -1.17 -2.78 115.95 116.54 1m9p h TRP 15 Ca 0.09 0.00 -0.21 0.00 1.13 0.00 0.00 58.89 59.90 1m9p h TRP 15 Cb 0.72 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.37 1m9p h TRP 15 CO 0.03 0.00 -0.77 0.78 -1.03 0.00 0.00 178.44 177.45 1m9p h GLY 16 N 3.27 0.68 -0.29 2.65 0.00 -0.79 -3.05 103.07 105.54 1m9p h GLY 16 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1m9p h GLY 16 CO 0.00 0.86 0.00 0.28 0.00 0.00 0.00 176.54 177.68 1m9p n LYS 17 N -3.88 1.22 -3.30 4.80 5.02 -1.05 -4.88 118.16 116.08 1m9p n LYS 17 Ca -0.06 -0.34 -0.38 0.00 -2.02 0.00 0.00 58.31 55.50 1m9p n LYS 17 Cb 0.74 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 34.58 1m9p n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1m9p s VAL 18 N -1.88 4.93 -0.77 -0.18 0.11 -1.15 -5.02 120.40 116.44 1m9p s VAL 18 Ca 0.09 1.11 -0.26 0.00 -2.93 0.00 0.00 61.98 59.99 1m9p s VAL 18 Cb 0.05 -3.86 0.02 0.00 -1.53 0.00 0.00 36.38 31.06 1m9p s VAL 18 CO 0.07 0.47 1.42 0.21 -3.33 0.00 0.00 175.10 173.94 1m9p s ASN 19 N -0.47 6.04 0.00 3.54 3.84 -1.26 -4.86 114.94 121.76 1m9p s ASN 19 Ca 0.28 -0.49 0.00 0.00 0.21 0.00 0.00 52.86 52.86 1m9p s ASN 19 Cb -0.18 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 1m9p s ASN 19 CO 0.16 -1.90 1.46 0.52 -2.79 0.00 0.00 177.10 174.54 1m9p n VAL 20 N 6.63 1.46 0.00 -5.21 0.31 -1.26 -2.13 118.33 118.14 1m9p n VAL 20 Ca 0.11 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1m9p n VAL 20 Cb 0.50 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1m9p n VAL 20 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1m9p n ASP 21 N 1.56 0.00 0.00 4.52 8.00 -1.26 -4.98 116.55 124.39 1m9p n ASP 21 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1m9p n ASP 21 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1m9p n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1m9p n GLU 22 N -0.09 0.00 -0.22 -1.24 -0.58 -0.90 -4.76 120.64 112.84 1m9p n GLU 22 Ca 0.00 0.00 0.30 0.00 -0.42 0.00 0.00 57.16 57.04 1m9p n GLU 22 Cb 0.00 -0.48 0.73 0.00 -0.57 0.00 0.00 31.44 31.12 1m9p n GLU 22 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1m9p h VAL 23 N 0.00 0.51 -0.25 2.62 -1.51 -1.94 -0.68 116.25 115.00 1m9p h VAL 23 Ca 0.00 -0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.33 1m9p h VAL 23 Cb 0.94 0.50 -0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1m9p h VAL 23 CO 0.00 0.00 -0.37 1.23 -1.23 0.00 0.00 177.57 177.20 1m9p h GLY 24 N 0.01 0.75 2.00 5.19 0.00 -1.81 -1.68 103.07 107.54 1m9p h GLY 24 Ca 0.47 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1m9p h GLY 24 CO -0.01 0.75 0.00 0.61 0.00 0.00 0.00 176.54 177.89 1m9p n GLY 25 N 0.30 -1.49 0.12 4.60 0.00 -0.33 -2.04 105.19 106.35 1m9p n GLY 25 Ca -0.05 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 1m9p n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1m9p h GLU 26 N 0.00 0.26 0.20 1.61 5.08 -1.24 -2.25 114.58 118.24 1m9p h GLU 26 Ca 0.00 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1m9p h GLU 26 Cb 0.53 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1m9p h GLU 26 CO 0.00 1.11 -0.10 0.00 -1.00 0.00 0.00 179.01 179.03 1m9p h ALA 27 N 0.36 -0.27 0.00 3.43 0.00 -1.21 0.06 119.26 121.63 1m9p h ALA 27 Ca -0.32 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1m9p h ALA 27 Cb 2.04 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.92 1m9p h ALA 27 CO 0.14 -0.43 -0.37 1.25 0.00 0.00 0.00 179.25 179.84 1m9p h LEU 28 N -0.71 0.00 -0.35 0.00 5.85 -1.59 -2.36 115.31 116.15 1m9p h LEU 28 Ca -0.03 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 1m9p h LEU 28 Cb 0.49 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1m9p h LEU 28 CO 0.05 0.37 -0.73 1.23 -0.34 0.00 0.00 178.44 179.02 1m9p h GLY 29 N 1.11 0.57 2.00 3.75 0.00 -1.34 -3.03 103.07 106.12 1m9p h GLY 29 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1m9p h GLY 29 CO 0.05 0.70 0.00 3.21 0.00 0.00 0.00 176.54 180.50 1m9p h ARG 30 N 0.36 0.00 -0.37 4.80 3.08 -0.70 -3.11 114.38 118.44 1m9p h ARG 30 Ca -0.03 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1m9p h ARG 30 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1m9p h ARG 30 CO 0.13 0.00 -0.33 1.25 -1.07 0.00 0.00 179.97 179.95 1m9p h LEU 31 N 0.00 0.88 -0.01 3.04 5.85 -1.31 -1.58 115.31 122.18 1m9p h LEU 31 Ca 0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1m9p h LEU 31 Cb 0.81 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1m9p h LEU 31 CO 0.00 1.13 -0.12 0.18 -0.34 0.00 0.00 178.44 179.29 1m9p n LEU 32 N -4.07 0.13 -0.14 2.25 4.77 -1.18 -2.24 117.00 116.53 1m9p n LEU 32 Ca -0.01 0.35 -0.26 0.00 -0.03 0.00 0.00 56.01 56.06 1m9p n LEU 32 Cb 0.50 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 1m9p n LEU 32 CO 0.47 0.03 -1.42 0.52 -1.33 0.00 0.00 177.39 175.66 1m9p n VAL 33 N -1.46 1.52 -0.02 4.08 0.31 -1.14 -3.99 118.33 117.63 1m9p n VAL 33 Ca 0.07 -0.45 -0.17 0.00 -0.01 0.00 0.00 64.34 63.79 1m9p n VAL 33 Cb 0.33 -1.73 -0.06 0.00 -0.91 0.00 0.00 33.84 31.47 1m9p n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1m9p h VAL 34 N -0.67 1.28 -2.80 2.52 2.07 -1.42 -3.36 116.25 113.87 1m9p h VAL 34 Ca -0.67 -1.97 -0.61 0.00 0.82 0.00 0.00 66.70 64.27 1m9p h VAL 34 Cb 1.71 1.96 -0.41 0.00 -1.52 0.00 0.00 31.29 33.03 1m9p h VAL 34 CO -0.32 0.62 -0.64 -1.22 0.02 0.00 0.00 177.57 176.04 1m9p n TYR 35 N -3.93 2.73 0.27 1.57 4.01 -0.95 -5.00 117.16 115.86 1m9p n TYR 35 Ca -0.07 -4.15 0.03 0.00 -0.16 0.00 0.00 57.90 53.55 1m9p n TYR 35 Cb 0.74 -0.50 0.14 0.00 -0.31 0.00 0.00 39.34 39.41 1m9p n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1m9p n PRO 36 N 1.83 0.08 0.23 -0.72 -0.02 -1.26 -1.88 135.00 133.26 1m9p n PRO 36 Ca 0.23 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 1m9p n PRO 36 Cb 0.38 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.78 1m9p n PRO 36 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1m9p h TRP 37 N 0.00 0.00 0.00 6.00 0.09 -1.90 -2.76 115.95 117.39 1m9p h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1m9p h TRP 37 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.30 1m9p h TRP 37 CO 0.00 0.15 0.00 1.15 0.09 0.00 0.00 178.44 179.83 1m9p h THR 38 N 0.00 0.00 0.00 0.12 2.02 -1.66 -2.14 112.91 111.25 1m9p h THR 38 Ca -0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1m9p h THR 38 Cb 0.80 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1m9p h THR 38 CO 0.02 0.00 -0.05 1.56 0.37 0.00 0.00 175.52 177.42 1m9p h GLN 39 N 0.00 0.00 -0.93 6.66 4.20 -1.70 -2.83 115.11 120.52 1m9p h GLN 39 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1m9p h GLN 39 Cb 0.32 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1m9p h GLN 39 CO 0.00 0.05 0.55 -0.09 -0.67 0.00 0.00 178.83 178.66 1m9p h ARG 40 N 0.00 1.27 0.00 1.46 2.43 -1.59 -1.75 114.38 116.20 1m9p h ARG 40 Ca -0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1m9p h ARG 40 Cb 0.19 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1m9p h ARG 40 CO 0.01 0.89 0.00 1.19 -1.51 0.00 0.00 179.97 180.55 1m9p n PHE 41 N -4.36 0.00 -3.21 2.20 3.01 -1.07 -3.96 117.46 110.08 1m9p n PHE 41 Ca 0.10 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.32 1m9p n PHE 41 Cb 0.07 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.48 1m9p n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1m9p n PHE 42 N -0.97 1.46 0.05 1.38 3.72 -0.66 -4.87 117.46 117.58 1m9p n PHE 42 Ca 0.16 -3.84 -0.05 0.00 -0.05 0.00 0.00 57.45 53.67 1m9p n PHE 42 Cb 0.07 -0.44 -0.09 0.00 -0.94 0.00 0.00 39.48 38.08 1m9p n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1m9p h GLU 43 N 3.68 0.00 -0.94 -1.08 5.08 -1.72 -3.32 114.58 116.28 1m9p h GLU 43 Ca 0.12 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1m9p h GLU 43 Cb 0.79 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1m9p h GLU 43 CO 0.62 0.73 0.07 -1.13 -1.00 0.00 0.00 179.01 178.30 1m9p n SER 44 N -3.21 2.62 -0.05 1.42 3.41 -1.26 -3.57 113.62 112.98 1m9p n SER 44 Ca -0.04 -2.31 0.01 0.00 -0.26 0.00 0.00 58.87 56.27 1m9p n SER 44 Cb 0.92 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1m9p n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1m9p n PHE 45 N 0.13 0.00 -2.86 7.33 3.01 -1.25 -5.10 117.46 118.72 1m9p n PHE 45 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1m9p n PHE 45 Cb 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 1m9p n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1m9p n GLY 46 N 0.30 1.38 3.64 1.37 0.00 -1.23 -4.82 105.19 105.82 1m9p n GLY 46 Ca 0.01 -0.64 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 1m9p n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1m9p n ASP 47 N 4.06 3.75 -0.46 1.61 -0.08 -1.26 -4.81 116.55 119.36 1m9p n ASP 47 Ca 0.00 0.70 0.00 0.00 -1.51 0.00 0.00 54.79 53.98 1m9p n ASP 47 Cb 0.00 -1.51 0.00 0.00 2.34 0.00 0.00 41.12 41.95 1m9p n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1m9p n LEU 48 N 8.68 0.00 0.11 -2.67 4.77 -1.26 -4.34 117.00 122.30 1m9p n LEU 48 Ca 0.24 -0.93 -0.13 0.00 -0.03 0.00 0.00 56.01 55.16 1m9p n LEU 48 Cb 0.40 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 1m9p n LEU 48 CO 0.69 0.35 0.73 0.77 -1.33 0.00 0.00 177.39 178.59 1m9p h SER 49 N 0.00 -0.21 -2.22 -1.43 4.64 -1.94 -3.44 113.55 108.96 1m9p h SER 49 Ca 0.00 -0.11 -0.52 0.00 -0.47 0.00 0.00 61.79 60.69 1m9p h SER 49 Cb 1.31 0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.39 1m9p h SER 49 CO 0.00 -0.02 -0.56 0.42 -0.87 0.00 0.00 176.83 175.80 1m9p s THR 50 N -5.53 4.17 0.52 2.95 -4.23 -1.26 -5.02 115.64 107.23 1m9p s THR 50 Ca -0.15 -1.54 0.33 0.00 -1.18 0.00 0.00 61.69 59.15 1m9p s THR 50 Cb 0.04 -3.24 0.36 0.00 1.34 0.00 0.00 72.50 71.00 1m9p s THR 50 CO 0.63 -0.35 2.21 1.55 -0.54 0.00 0.00 174.62 178.12 1m9p h PRO 51 N 1.63 0.00 -0.16 3.99 0.13 -1.99 -2.42 132.00 133.19 1m9p h PRO 51 Ca -0.47 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 1m9p h PRO 51 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1m9p h PRO 51 CO 0.61 0.04 -0.72 -0.44 -0.23 0.00 0.00 178.00 177.26 1m9p h ASP 52 N 0.00 0.80 -0.22 1.44 5.19 -1.97 -2.24 116.42 119.42 1m9p h ASP 52 Ca -0.00 -0.50 -0.03 0.00 -0.62 0.00 0.00 57.03 55.88 1m9p h ASP 52 Cb 0.14 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1m9p h ASP 52 CO 0.01 1.28 0.03 0.00 -3.12 0.00 0.00 179.24 177.44 1m9p h ALA 53 N 0.71 0.30 0.09 3.45 0.00 -1.80 -1.54 119.26 120.47 1m9p h ALA 53 Ca -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1m9p h ALA 53 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1m9p h ALA 53 CO 0.14 -0.02 -0.04 0.28 0.00 0.00 0.00 179.25 179.61 1m9p h VAL 54 N 0.17 0.92 -0.30 0.00 2.07 -1.43 -1.19 116.25 116.49 1m9p h VAL 54 Ca 0.07 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 1m9p h VAL 54 Cb 0.33 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1m9p h VAL 54 CO 0.01 0.01 -0.08 0.24 0.02 0.00 0.00 177.57 177.76 1m9p h MET 55 N -0.14 0.59 0.00 1.57 2.86 -1.40 -3.12 114.93 115.29 1m9p h MET 55 Ca -0.01 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1m9p h MET 55 Cb 0.11 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1m9p h MET 55 CO 0.02 0.78 0.00 0.41 1.06 0.00 0.00 176.91 179.19 1m9p n GLY 56 N -0.16 -1.52 3.68 8.32 0.00 -0.58 -4.79 105.19 110.13 1m9p n GLY 56 Ca -0.03 0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1m9p n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1m9p n ASN 57 N -2.30 3.85 -0.09 1.61 5.15 -0.45 -4.92 115.26 118.12 1m9p n ASN 57 Ca 0.04 0.96 -0.01 0.00 -0.60 0.00 0.00 54.58 54.97 1m9p n ASN 57 Cb 0.34 -1.48 0.26 0.00 -0.53 0.00 0.00 39.78 38.38 1m9p n ASN 57 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1m9p h PRO 58 N 9.30 0.72 -0.07 1.20 0.13 -1.89 -2.85 132.00 138.54 1m9p h PRO 58 Ca -0.48 -0.12 -0.09 0.00 -0.87 0.00 0.00 66.00 64.45 1m9p h PRO 58 Cb 1.25 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1m9p h PRO 58 CO 0.94 0.62 -0.36 0.87 -0.23 0.00 0.00 178.00 179.84 1m9p h LYS 59 N 0.71 0.13 -0.49 0.86 1.57 -1.91 -1.12 116.57 116.32 1m9p h LYS 59 Ca 0.17 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1m9p h LYS 59 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1m9p h LYS 59 CO -0.01 0.48 -0.07 0.28 -0.57 0.00 0.00 179.45 179.56 1m9p h VAL 60 N 0.12 1.27 -0.10 0.50 2.07 -1.81 0.27 116.25 118.56 1m9p h VAL 60 Ca 0.01 -1.19 -0.20 0.00 0.82 0.00 0.00 66.70 66.14 1m9p h VAL 60 Cb 0.69 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1m9p h VAL 60 CO 0.05 0.41 -0.76 0.11 0.02 0.00 0.00 177.57 177.40 1m9p h LYS 61 N 0.77 0.55 0.46 1.57 1.57 -1.42 -0.65 116.57 119.43 1m9p h LYS 61 Ca 0.13 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1m9p h LYS 61 Cb 0.61 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1m9p h LYS 61 CO 0.04 1.09 -0.22 0.00 -0.57 0.00 0.00 179.45 179.78 1m9p h ALA 62 N 0.78 -0.62 -0.30 3.86 0.00 -1.04 -2.16 119.26 119.77 1m9p h ALA 62 Ca -0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1m9p h ALA 62 Cb 1.36 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1m9p h ALA 62 CO 0.14 -0.70 -0.04 1.25 0.00 0.00 0.00 179.25 179.91 1m9p h HIS 63 N -0.92 0.48 -0.22 0.00 -0.00 -0.56 -2.67 115.15 111.26 1m9p h HIS 63 Ca -0.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 1m9p h HIS 63 Cb 0.58 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 1m9p h HIS 63 CO 0.01 0.51 0.07 0.78 -0.00 0.00 0.00 177.93 179.30 1m9p h GLY 64 N 0.82 0.32 1.50 5.26 0.00 -1.00 -1.18 103.07 108.79 1m9p h GLY 64 Ca 0.09 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 1m9p h GLY 64 CO 0.01 0.13 -0.55 1.70 0.00 0.00 0.00 176.54 177.84 1m9p h LYS 65 N 0.30 0.53 -0.45 4.80 3.64 -1.03 -1.20 116.57 123.16 1m9p h LYS 65 Ca 0.08 -0.33 -0.13 0.00 -1.27 0.00 0.00 60.65 58.99 1m9p h LYS 65 Cb 0.09 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1m9p h LYS 65 CO -0.01 0.94 -0.22 0.87 -2.27 0.00 0.00 179.45 178.76 1m9p h LYS 66 N 0.41 0.93 -0.39 1.90 1.57 -1.32 0.29 116.57 119.94 1m9p h LYS 66 Ca 0.01 -0.39 -0.11 0.00 -1.87 0.00 0.00 60.65 58.28 1m9p h LYS 66 Cb 1.09 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1m9p h LYS 66 CO 0.10 1.05 -0.21 0.28 -0.57 0.00 0.00 179.45 180.10 1m9p h VAL 67 N 0.80 1.27 0.00 0.50 2.07 -1.14 -1.58 116.25 118.18 1m9p h VAL 67 Ca 0.10 -1.32 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 1m9p h VAL 67 Cb 0.79 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1m9p h VAL 67 CO 0.07 0.44 -0.51 0.25 0.02 0.00 0.00 177.57 177.84 1m9p h LEU 68 N 0.68 0.00 -1.08 2.57 5.85 -0.80 -2.22 115.31 120.31 1m9p h LEU 68 Ca 0.10 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 1m9p h LEU 68 Cb 0.72 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1m9p h LEU 68 CO 0.06 0.51 -0.36 1.23 -0.34 0.00 0.00 178.44 179.54 1m9p h GLY 69 N 1.98 0.00 1.06 3.75 0.00 0.33 -2.40 103.07 107.79 1m9p h GLY 69 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 1m9p h GLY 69 CO 0.07 0.00 -0.53 0.00 0.00 0.00 0.00 176.54 176.07 1m9p h ALA 70 N 1.64 0.36 -0.33 3.60 0.00 -0.68 -2.50 119.26 121.35 1m9p h ALA 70 Ca -0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1m9p h ALA 70 Cb 0.81 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1m9p h ALA 70 CO 0.05 0.57 -0.21 0.74 0.00 0.00 0.00 179.25 180.39 1m9p h PHE 71 N 0.48 0.83 -0.68 0.00 0.04 -1.43 -2.64 116.94 113.54 1m9p h PHE 71 Ca -0.00 -0.22 0.07 0.00 2.80 0.00 0.00 57.97 60.61 1m9p h PHE 71 Cb 1.15 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 39.05 1m9p h PHE 71 CO 0.08 0.95 0.37 0.77 -0.60 0.00 0.00 178.31 179.89 1m9p h SER 72 N 0.48 0.54 0.17 2.17 0.02 -1.47 0.22 113.55 115.68 1m9p h SER 72 Ca 0.07 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1m9p h SER 72 Cb 0.76 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1m9p h SER 72 CO 0.06 0.34 -0.08 -0.78 -1.14 0.00 0.00 176.83 175.22 1m9p h ASP 73 N 0.67 -0.20 0.83 3.07 3.58 -1.39 -2.80 116.42 120.18 1m9p h ASP 73 Ca 0.31 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.69 1m9p h ASP 73 Cb 0.23 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1m9p h ASP 73 CO -0.20 -0.10 -0.18 1.23 -2.88 0.00 0.00 179.24 177.11 1m9p h GLY 74 N -0.28 0.00 2.00 -0.78 0.00 -1.02 -2.32 103.07 100.66 1m9p h GLY 74 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1m9p h GLY 74 CO 0.04 0.00 -0.34 1.41 0.00 0.00 0.00 176.54 177.65 1m9p h LEU 75 N 0.00 0.00 0.04 3.11 3.38 -0.33 -2.98 115.31 118.52 1m9p h LEU 75 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1m9p h LEU 75 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1m9p h LEU 75 CO 0.02 0.34 -0.27 0.00 0.09 0.00 0.00 178.44 178.62 1m9p h ALA 76 N 1.66 -0.01 -1.40 1.53 0.00 -1.27 -3.36 119.26 116.42 1m9p h ALA 76 Ca -0.00 -0.59 -0.81 0.00 0.00 0.00 0.00 54.91 53.51 1m9p h ALA 76 Cb 0.74 0.06 -0.27 0.00 0.00 0.00 0.00 17.79 18.32 1m9p h ALA 76 CO 0.04 0.13 0.97 0.72 0.00 0.00 0.00 179.25 181.12 1m9p n HIS 77 N -4.48 2.66 1.52 0.00 8.25 -1.08 -4.71 115.22 117.38 1m9p n HIS 77 Ca -0.12 -2.57 0.00 0.00 -0.26 0.00 0.00 57.72 54.77 1m9p n HIS 77 Cb 0.58 -1.21 0.02 0.00 1.12 0.00 0.00 29.99 30.50 1m9p n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1m9p n LEU 78 N 0.23 0.57 -0.10 2.41 7.94 -1.13 -2.76 117.00 124.16 1m9p n LEU 78 Ca 0.42 -0.29 -0.10 0.00 -1.11 0.00 0.00 56.01 54.94 1m9p n LEU 78 Cb 0.28 -0.21 -0.16 0.00 0.53 0.00 0.00 43.42 43.86 1m9p n LEU 78 CO 0.56 0.13 -1.15 -0.67 -1.11 0.00 0.00 177.39 175.16 1m9p n ASP 79 N -0.24 0.11 -3.05 1.96 -0.08 -1.26 -1.64 116.55 112.35 1m9p n ASP 79 Ca 0.01 0.01 -0.17 0.00 -1.51 0.00 0.00 54.79 53.13 1m9p n ASP 79 Cb 0.13 0.91 -0.03 0.00 2.34 0.00 0.00 41.12 44.46 1m9p n ASP 79 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1m9p n ASN 80 N -2.78 -1.54 0.08 1.67 2.85 -1.11 -4.65 115.26 109.78 1m9p n ASN 80 Ca -0.33 -2.79 -0.00 0.00 -0.11 0.00 0.00 54.58 51.35 1m9p n ASN 80 Cb 1.15 0.48 0.30 0.00 1.24 0.00 0.00 39.78 42.95 1m9p n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1m9p h LEU 81 N 4.69 0.30 -0.76 1.20 3.38 -1.84 -3.15 115.31 119.14 1m9p h LEU 81 Ca 0.08 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1m9p h LEU 81 Cb 0.97 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 1m9p h LEU 81 CO 0.30 0.53 0.44 0.11 0.09 0.00 0.00 178.44 179.92 1m9p h LYS 82 N 0.28 0.77 -0.00 1.13 6.56 -1.90 -2.66 116.57 120.76 1m9p h LYS 82 Ca 0.05 -0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.47 1m9p h LYS 82 Cb 0.54 -0.17 0.01 0.00 -0.57 0.00 0.00 32.23 32.04 1m9p h LYS 82 CO 0.04 0.51 -0.47 0.78 -2.06 0.00 0.00 179.45 178.25 1m9p h GLY 83 N 0.80 0.36 1.50 3.86 0.00 -1.94 -2.17 103.07 105.48 1m9p h GLY 83 Ca 0.35 -0.63 0.05 0.00 0.00 0.00 0.00 47.33 47.10 1m9p h GLY 83 CO -0.19 0.55 0.21 -0.91 0.00 0.00 0.00 176.54 176.20 1m9p h THR 84 N -0.25 0.94 -0.12 4.70 1.35 -1.56 -1.74 112.91 116.23 1m9p h THR 84 Ca -0.06 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1m9p h THR 84 Cb 1.20 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1m9p h THR 84 CO 0.09 0.03 0.00 0.49 -0.25 0.00 0.00 175.52 175.89 1m9p n PHE 85 N -4.48 0.13 0.25 4.73 3.72 -1.01 -4.45 117.46 116.36 1m9p n PHE 85 Ca 0.03 -0.07 0.18 0.00 -0.05 0.00 0.00 57.45 57.54 1m9p n PHE 85 Cb 0.25 -0.00 0.90 0.00 -0.94 0.00 0.00 39.48 39.69 1m9p n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1m9p h ALA 86 N 4.12 1.60 0.10 4.37 0.00 -0.62 0.40 119.26 129.24 1m9p h ALA 86 Ca 0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1m9p h ALA 86 Cb 0.89 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1m9p h ALA 86 CO 0.00 -0.22 -1.61 0.00 0.00 0.00 0.00 179.25 177.42 1m9p h THR 87 N 0.00 0.86 -0.73 0.00 1.03 -1.78 -3.34 112.91 108.96 1m9p h THR 87 Ca 0.05 -2.35 -0.04 0.00 -0.01 0.00 0.00 66.41 64.06 1m9p h THR 87 Cb 0.37 2.56 -0.03 0.00 -1.07 0.00 0.00 68.15 69.98 1m9p h THR 87 CO -0.00 0.72 0.28 -0.07 -0.01 0.00 0.00 175.52 176.44 1m9p h LEU 88 N -0.26 1.01 -1.15 0.00 -0.00 -1.46 -2.91 115.31 110.54 1m9p h LEU 88 Ca -0.36 -0.16 -0.06 0.00 -0.00 0.00 0.00 57.88 57.31 1m9p h LEU 88 Cb 1.80 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 42.18 1m9p h LEU 88 CO 0.03 0.90 -0.08 0.77 -0.00 0.00 0.00 178.44 180.06 1m9p h SER 89 N 1.07 0.47 -0.56 -0.43 4.64 -1.15 -1.80 113.55 115.78 1m9p h SER 89 Ca 0.25 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1m9p h SER 89 Cb 0.22 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1m9p h SER 89 CO -0.02 0.60 0.15 -0.33 -0.87 0.00 0.00 176.83 176.36 1m9p h GLU 90 N 0.46 0.90 0.20 4.77 5.08 -1.63 0.15 114.58 124.50 1m9p h GLU 90 Ca 0.09 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1m9p h GLU 90 Cb 0.44 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1m9p h GLU 90 CO 0.02 0.83 -0.09 1.25 -1.00 0.00 0.00 179.01 180.02 1m9p h LEU 91 N 0.80 -0.22 -0.18 1.33 7.12 -1.44 -3.01 115.31 119.71 1m9p h LEU 91 Ca 0.18 -0.18 -0.17 0.00 0.13 0.00 0.00 57.88 57.84 1m9p h LEU 91 Cb 0.32 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1m9p h LEU 91 CO -0.00 0.06 -0.56 0.45 -0.13 0.00 0.00 178.44 178.26 1m9p h HIS 92 N -0.51 0.91 0.00 1.25 3.86 -1.30 0.15 115.15 119.51 1m9p h HIS 92 Ca -0.03 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1m9p h HIS 92 Cb 0.39 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1m9p h HIS 92 CO 0.01 1.16 0.00 0.00 0.86 0.00 0.00 177.93 179.96 1m9p n ASP 94 N -0.43 0.00 0.05 0.00 10.43 -1.19 -1.96 116.55 123.46 1m9p n ASP 94 Ca 0.00 -0.11 0.00 0.00 2.57 0.00 0.00 54.79 57.25 1m9p n ASP 94 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 1m9p n ASP 94 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1m9p n LYS 95 N -0.97 0.00 0.00 -1.24 4.81 -1.14 -4.86 118.16 114.75 1m9p n LYS 95 Ca 0.02 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.57 1m9p n LYS 95 Cb 0.01 -0.12 0.48 0.00 0.02 0.00 0.00 35.03 35.42 1m9p n LYS 95 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1m9p n LEU 96 N -3.00 0.00 -3.80 3.14 7.94 0.53 -4.96 117.00 116.86 1m9p n LEU 96 Ca 0.00 0.49 -0.30 0.00 -1.11 0.00 0.00 56.01 55.10 1m9p n LEU 96 Cb 0.00 -0.49 0.02 0.00 0.53 0.00 0.00 43.42 43.47 1m9p n LEU 96 CO 0.00 -0.11 -0.14 1.41 -1.11 0.00 0.00 177.39 177.44 1m9p n HIS 97 N -1.49 -1.78 -3.31 1.96 8.25 -0.47 -4.94 115.22 113.43 1m9p n HIS 97 Ca 0.06 0.55 -0.40 0.00 -0.26 0.00 0.00 57.72 57.67 1m9p n HIS 97 Cb 0.26 -3.56 -0.08 0.00 1.12 0.00 0.00 29.99 27.73 1m9p n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m9p s VAL 98 N -3.66 5.11 0.15 1.59 1.01 0.25 -5.01 120.40 119.84 1m9p s VAL 98 Ca 0.28 0.67 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 1m9p s VAL 98 Cb -0.11 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1m9p s VAL 98 CO 0.88 0.08 1.67 -0.62 0.00 0.00 0.00 175.10 177.11 1m9p s ASP 99 N 1.61 6.50 0.64 3.32 -1.08 -1.26 -4.67 116.67 121.73 1m9p s ASP 99 Ca 0.18 2.69 0.26 0.00 -0.52 0.00 0.00 52.55 55.16 1m9p s ASP 99 Cb -0.16 -2.59 1.34 0.00 -1.46 0.00 0.00 42.92 40.06 1m9p s ASP 99 CO 0.10 -0.91 1.76 -0.65 0.52 0.00 0.00 175.17 176.00 1m9p h PRO 100 N 7.36 0.00 0.00 4.34 0.11 -1.97 -2.15 132.00 139.68 1m9p h PRO 100 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1m9p h PRO 100 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1m9p h PRO 100 CO 0.94 0.00 -0.14 1.49 -0.21 0.00 0.00 178.00 180.07 1m9p h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -2.00 -1.73 114.58 116.46 1m9p h GLU 101 Ca 0.11 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1m9p h GLU 101 Cb 1.15 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1m9p h GLU 101 CO -0.00 0.14 -0.21 -0.91 -1.18 0.00 0.00 179.01 176.85 1m9p h ASN 102 N 0.00 0.00 0.74 1.04 2.35 -1.76 -1.59 115.58 116.35 1m9p h ASN 102 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1m9p h ASN 102 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1m9p h ASN 102 CO 0.02 0.21 -0.87 -0.26 -1.65 0.00 0.00 177.43 174.88 1m9p h PHE 103 N 0.00 0.12 -0.06 1.19 0.04 -1.48 -0.98 116.94 115.77 1m9p h PHE 103 Ca -0.00 -0.07 -0.24 0.00 2.80 0.00 0.00 57.97 60.46 1m9p h PHE 103 Cb 0.81 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.96 1m9p h PHE 103 CO 0.00 0.90 -0.90 0.00 -0.60 0.00 0.00 178.31 177.71 1m9p h ARG 104 N 0.04 0.65 -0.29 1.51 2.47 -1.41 -3.13 114.38 114.21 1m9p h ARG 104 Ca -0.03 -0.62 -0.07 0.00 -1.26 0.00 0.00 59.98 58.01 1m9p h ARG 104 Cb 1.51 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.98 1m9p h ARG 104 CO 0.12 1.22 -0.10 -0.07 0.56 0.00 0.00 179.97 181.70 1m9p h LEU 105 N 0.40 0.60 -0.56 3.04 3.38 -1.20 -2.80 115.31 118.17 1m9p h LEU 105 Ca -0.08 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 1m9p h LEU 105 Cb 1.53 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 1m9p h LEU 105 CO 0.17 0.85 0.18 0.25 0.09 0.00 0.00 178.44 179.98 1m9p h LEU 106 N 0.35 0.82 -0.96 1.67 5.85 -1.29 -1.43 115.31 120.32 1m9p h LEU 106 Ca 0.07 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1m9p h LEU 106 Cb 0.60 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1m9p h LEU 106 CO 0.04 0.80 0.00 1.23 -0.34 0.00 0.00 178.44 180.17 1m9p h GLY 107 N 0.79 0.00 0.40 3.75 0.00 -1.54 -1.47 103.07 104.99 1m9p h GLY 107 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.25 1m9p h GLY 107 CO -0.01 0.00 -2.00 0.70 0.00 0.00 0.00 176.54 175.24 1m9p n ASN 108 N -2.33 0.35 0.11 0.19 5.03 -0.83 -3.11 115.26 114.66 1m9p n ASN 108 Ca 0.01 0.16 -0.04 0.00 0.87 0.00 0.00 54.58 55.59 1m9p n ASN 108 Cb 0.19 0.76 0.05 0.00 -1.02 0.00 0.00 39.78 39.76 1m9p n ASN 108 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1m9p h VAL 109 N 0.00 1.55 -0.28 2.41 -1.51 -0.71 -1.53 116.25 116.17 1m9p h VAL 109 Ca -0.34 -2.65 -0.03 0.00 -1.23 0.00 0.00 66.70 62.45 1m9p h VAL 109 Cb 1.89 2.43 -0.01 0.00 -2.13 0.00 0.00 31.29 33.47 1m9p h VAL 109 CO 0.04 0.76 0.06 0.25 -1.23 0.00 0.00 177.57 177.44 1m9p h LEU 110 N 0.00 0.44 -1.61 4.19 5.85 -1.42 0.18 115.31 122.94 1m9p h LEU 110 Ca -0.01 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1m9p h LEU 110 Cb 1.37 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1m9p h LEU 110 CO 0.10 0.57 0.18 0.58 -0.34 0.00 0.00 178.44 179.54 1m9p h VAL 111 N 0.29 1.10 -0.25 1.05 2.07 -1.46 0.98 116.25 120.04 1m9p h VAL 111 Ca 0.09 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.16 1m9p h VAL 111 Cb 0.31 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1m9p h VAL 111 CO 0.00 0.11 -0.58 0.00 0.02 0.00 0.00 177.57 177.12 1m9p h VAL 113 N 0.61 1.29 -0.66 0.00 2.07 0.63 0.13 116.25 120.31 1m9p h VAL 113 Ca 0.00 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 1m9p h VAL 113 Cb 1.18 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1m9p h VAL 113 CO 0.12 0.52 0.24 -0.07 0.02 0.00 0.00 177.57 178.41 1m9p h LEU 114 N 0.58 0.91 -0.34 2.57 3.38 -0.86 -0.48 115.31 121.07 1m9p h LEU 114 Ca 0.04 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1m9p h LEU 114 Cb 0.98 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1m9p h LEU 114 CO 0.09 0.83 -0.14 0.00 0.09 0.00 0.00 178.44 179.31 1m9p h ALA 115 N 1.30 0.48 -0.91 1.53 0.00 -1.19 0.59 119.26 121.06 1m9p h ALA 115 Ca 0.22 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1m9p h ALA 115 Cb 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1m9p h ALA 115 CO -0.02 0.37 0.59 1.25 0.00 0.00 0.00 179.25 181.45 1m9p h HIS 116 N 0.48 1.16 0.22 0.00 6.17 -0.06 -1.49 115.15 121.63 1m9p h HIS 116 Ca 0.08 0.02 -0.29 0.00 0.71 0.00 0.00 60.37 60.89 1m9p h HIS 116 Cb 0.66 -0.39 0.03 0.00 2.52 0.00 0.00 27.41 30.24 1m9p h HIS 116 CO 0.06 0.74 -1.28 0.45 0.71 0.00 0.00 177.93 178.61 1m9p h HIS 117 N 1.24 0.87 0.00 5.26 -0.00 -0.93 -3.36 115.15 118.23 1m9p h HIS 117 Ca 0.33 -0.63 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 1m9p h HIS 117 Cb -0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 1m9p h HIS 117 CO -0.01 1.49 -0.59 1.19 -0.00 0.00 0.00 177.93 180.01 1m9p n PHE 118 N -3.84 0.14 0.00 2.45 3.72 0.18 -5.01 117.46 115.10 1m9p n PHE 118 Ca -0.16 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1m9p n PHE 118 Cb 1.02 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 1m9p n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1m9p n GLY 119 N 1.45 3.01 0.20 1.37 0.00 -0.56 -1.61 105.19 109.05 1m9p n GLY 119 Ca 0.05 0.29 0.04 0.00 0.00 0.00 0.00 46.02 46.39 1m9p n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1m9p h LYS 120 N 0.00 0.00 -0.96 1.61 3.64 -1.95 -3.10 116.57 115.81 1m9p h LYS 120 Ca 0.00 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1m9p h LYS 120 Cb 0.00 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 1m9p h LYS 120 CO 0.00 0.30 0.61 0.93 -2.27 0.00 0.00 179.45 179.02 1m9p h GLU 121 N 0.00 1.08 -5.92 1.90 5.08 -1.70 -3.29 114.58 111.73 1m9p h GLU 121 Ca -0.00 -0.06 -0.56 0.00 -1.00 0.00 0.00 59.36 57.74 1m9p h GLU 121 Cb 0.52 -0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 1m9p h GLU 121 CO 0.04 0.71 1.56 0.12 -1.00 0.00 0.00 179.01 180.45 1m9p s PHE 122 N -6.04 2.45 0.47 4.33 5.36 -1.17 -4.93 117.98 118.44 1m9p s PHE 122 Ca -0.12 -0.75 -0.05 0.00 -0.96 0.00 0.00 56.93 55.05 1m9p s PHE 122 Cb 0.20 -4.56 -0.04 0.00 -0.34 0.00 0.00 43.02 38.28 1m9p s PHE 122 CO 0.81 -1.81 0.76 0.95 -1.46 0.00 0.00 175.22 174.47 1m9p s THR 123 N 6.02 4.93 0.31 0.12 -4.23 -1.24 -4.87 115.64 116.67 1m9p s THR 123 Ca 0.54 0.14 0.08 0.00 -1.18 0.00 0.00 61.69 61.27 1m9p s THR 123 Cb 0.00 -3.87 0.31 0.00 1.34 0.00 0.00 72.50 70.29 1m9p s THR 123 CO -0.01 -0.82 1.67 -0.65 -0.54 0.00 0.00 174.62 174.26 1m9p h PRO 124 N 0.27 0.31 0.00 3.99 0.11 -1.92 -0.25 132.00 134.51 1m9p h PRO 124 Ca -0.47 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1m9p h PRO 124 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1m9p h PRO 124 CO 0.62 0.21 -0.38 -1.35 -0.21 0.00 0.00 178.00 176.88 1m9p h PRO 125 N 0.32 0.00 -0.13 1.05 0.11 -1.98 -0.68 132.00 130.70 1m9p h PRO 125 Ca 0.63 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.57 1m9p h PRO 125 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1m9p h PRO 125 CO -0.60 0.38 -0.64 0.28 -0.21 0.00 0.00 178.00 177.21 1m9p h VAL 126 N 0.00 1.35 -0.13 3.15 2.07 -1.50 -2.66 116.25 118.52 1m9p h VAL 126 Ca -0.00 -1.96 -0.05 0.00 0.82 0.00 0.00 66.70 65.51 1m9p h VAL 126 Cb 0.98 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1m9p h VAL 126 CO 0.05 0.60 -0.10 -0.61 0.02 0.00 0.00 177.57 177.53 1m9p h GLN 127 N 0.35 0.30 -0.74 1.57 4.15 -0.85 -2.27 115.11 117.62 1m9p h GLN 127 Ca -0.01 -0.14 0.21 0.00 0.77 0.00 0.00 58.65 59.48 1m9p h GLN 127 Cb 1.20 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 1m9p h GLN 127 CO 0.12 0.67 0.55 0.00 -1.93 0.00 0.00 178.83 178.23 1m9p h ALA 128 N 0.63 2.68 0.09 3.38 0.00 -1.03 0.15 119.26 125.15 1m9p h ALA 128 Ca 0.03 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1m9p h ALA 128 Cb 0.59 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1m9p h ALA 128 CO 0.03 -0.93 -1.71 0.00 0.00 0.00 0.00 179.25 176.64 1m9p h ALA 129 N 1.60 0.34 0.00 0.00 0.00 -1.46 -3.34 119.26 116.41 1m9p h ALA 129 Ca 0.35 -1.30 -0.01 0.00 0.00 0.00 0.00 54.91 53.95 1m9p h ALA 129 Cb 1.44 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 1m9p h ALA 129 CO -0.00 1.07 -0.05 1.88 0.00 0.00 0.00 179.25 182.15 1m9p h TYR 130 N -0.28 0.00 -0.13 0.00 0.05 -0.48 -2.37 116.97 113.76 1m9p h TYR 130 Ca -0.39 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.30 1m9p h TYR 130 Cb 1.79 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.54 1m9p h TYR 130 CO 0.09 0.05 -0.27 1.96 -1.05 0.00 0.00 178.16 178.93 1m9p h GLN 131 N 0.00 0.41 -0.29 4.88 1.08 -0.93 -2.31 115.11 117.94 1m9p h GLN 131 Ca -0.00 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 1m9p h GLN 131 Cb 0.26 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1m9p h GLN 131 CO 0.01 0.87 0.15 0.87 -0.95 0.00 0.00 178.83 179.78 1m9p h LYS 132 N 0.00 0.40 0.32 1.46 1.57 -1.55 -0.60 116.57 118.18 1m9p h LYS 132 Ca 0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1m9p h LYS 132 Cb 0.87 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1m9p h LYS 132 CO 0.06 0.31 -0.15 0.28 -0.57 0.00 0.00 179.45 179.38 1m9p h VAL 133 N 0.41 0.00 -0.05 0.50 2.07 -1.45 -2.12 116.25 115.60 1m9p h VAL 133 Ca 0.11 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1m9p h VAL 133 Cb 0.04 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1m9p h VAL 133 CO -0.02 0.00 0.07 -0.37 0.02 0.00 0.00 177.57 177.27 1m9p h VAL 134 N -0.71 0.39 0.14 2.57 -1.51 -1.28 0.59 116.25 116.44 1m9p h VAL 134 Ca -0.04 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.13 1m9p h VAL 134 Cb 0.33 0.94 0.02 0.00 -2.13 0.00 0.00 31.29 30.46 1m9p h VAL 134 CO 0.07 0.00 -1.26 0.00 -1.23 0.00 0.00 177.57 175.15 1m9p h ALA 135 N 1.91 0.02 -0.18 5.19 0.00 -1.18 -2.60 119.26 122.42 1m9p h ALA 135 Ca 0.02 -0.80 -0.10 0.00 0.00 0.00 0.00 54.91 54.03 1m9p h ALA 135 Cb 0.16 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1m9p h ALA 135 CO -0.00 0.75 -0.33 0.78 0.00 0.00 0.00 179.25 180.46 1m9p h GLY 136 N 0.61 0.40 1.02 0.00 0.00 -0.23 0.19 103.07 105.06 1m9p h GLY 136 Ca -0.18 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1m9p h GLY 136 CO 0.23 0.32 -0.11 -2.08 0.00 0.00 0.00 176.54 174.90 1m9p h VAL 137 N 0.32 1.27 -0.19 4.60 2.07 -1.20 -2.29 116.25 120.83 1m9p h VAL 137 Ca 0.04 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1m9p h VAL 137 Cb 0.74 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1m9p h VAL 137 CO 0.06 0.42 -0.05 0.00 0.02 0.00 0.00 177.57 178.01 1m9p h ALA 138 N 0.87 0.26 0.00 1.67 0.00 -1.03 0.96 119.26 121.99 1m9p h ALA 138 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1m9p h ALA 138 Cb 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1m9p h ALA 138 CO 0.04 0.04 0.00 -0.91 0.00 0.00 0.00 179.25 178.42 1m9p h ASN 139 N 0.08 0.00 0.23 0.00 4.21 -0.60 -1.42 115.58 118.07 1m9p h ASN 139 Ca 0.05 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.22 1m9p h ASN 139 Cb 0.50 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.64 1m9p h ASN 139 CO 0.02 0.00 -2.06 0.00 -1.29 0.00 0.00 177.43 174.10 1m9p n ALA 140 N -2.02 1.44 0.45 -0.83 0.00 -0.87 -3.64 120.51 115.04 1m9p n ALA 140 Ca -0.01 -1.01 0.13 0.00 0.00 0.00 0.00 53.44 52.56 1m9p n ALA 140 Cb 0.20 -0.51 0.39 0.00 0.00 0.00 0.00 19.45 19.52 1m9p n ALA 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1m9p h LEU 141 N 0.01 0.00 -2.95 0.00 7.12 -0.13 -3.00 115.31 116.35 1m9p h LEU 141 Ca -0.42 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1m9p h LEU 141 Cb 2.10 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.23 1m9p h LEU 141 CO 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 178.44 178.36 1m9p n ALA 142 N -1.90 2.41 0.20 1.25 0.00 -0.60 -4.41 120.51 117.47 1m9p n ALA 142 Ca 0.04 -1.39 0.04 0.00 0.00 0.00 0.00 53.44 52.13 1m9p n ALA 142 Cb 0.41 -0.59 0.42 0.00 0.00 0.00 0.00 19.45 19.69 1m9p n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1m9p h HIS 143 N 2.44 0.00 -1.03 0.00 6.17 -1.59 -2.26 115.15 118.88 1m9p h HIS 143 Ca 0.00 0.00 -0.55 0.00 0.71 0.00 0.00 60.37 60.53 1m9p h HIS 143 Cb 0.94 0.00 -0.22 0.00 2.52 0.00 0.00 27.41 30.66 1m9p h HIS 143 CO 0.35 0.30 0.67 1.63 0.71 0.00 0.00 177.93 181.60 1m9p n LYS 144 N -4.14 2.37 0.00 5.26 4.76 -1.26 -3.93 118.16 121.22 1m9p n LYS 144 Ca -0.02 -2.61 0.00 0.00 -2.87 0.00 0.00 58.31 52.81 1m9p n LYS 144 Cb 0.35 -2.05 0.00 0.00 -1.84 0.00 0.00 35.03 31.49 1m9p n LYS 144 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1m9p n TYR 145 N -0.09 0.00 0.84 2.13 -0.00 -1.17 -3.86 117.16 115.01 1m9p n TYR 145 Ca 0.49 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.45 1m9p n TYR 145 Cb 0.54 0.00 0.40 0.00 -0.00 0.00 0.00 39.34 40.28 1m9p n TYR 145 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44