#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 3.18 -0.06 3.52 3.76 -1.26 -4.53 115.29 119.90 1m9p s HIS 2 Ca 0.00 0.08 0.03 0.00 -0.15 0.00 0.00 55.06 55.03 1m9p s HIS 2 Cb 0.00 -2.90 -0.02 0.00 1.11 0.00 0.00 32.58 30.76 1m9p s HIS 2 CO 0.00 -0.55 -0.15 -0.51 -0.85 0.00 0.00 174.74 172.68 1m9p s LEU 3 N 2.33 2.71 0.14 0.89 1.43 -1.26 -5.09 118.68 119.82 1m9p s LEU 3 Ca 0.17 -0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 52.74 1m9p s LEU 3 Cb -0.16 -1.55 -0.10 0.00 0.03 0.00 0.00 46.19 44.42 1m9p s LEU 3 CO 0.13 0.33 1.60 0.28 0.23 0.00 0.00 176.35 178.92 1m9p s THR 4 N -0.64 2.71 0.56 5.49 -1.32 -1.26 -4.56 115.64 116.63 1m9p s THR 4 Ca 0.09 0.44 0.14 0.00 -1.21 0.00 0.00 61.69 61.16 1m9p s THR 4 Cb -0.11 -3.28 0.20 0.00 -1.51 0.00 0.00 72.50 67.80 1m9p s THR 4 CO 0.01 0.03 1.05 -0.81 -2.21 0.00 0.00 174.62 172.68 1m9p n PRO 5 N 4.40 0.02 0.06 7.08 -0.04 -1.26 0.26 135.00 145.52 1m9p n PRO 5 Ca 0.14 0.89 -0.11 0.00 -0.04 0.00 0.00 63.50 64.39 1m9p n PRO 5 Cb 0.39 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1m9p n PRO 5 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1m9p h LYS 6 N 0.00 0.38 0.02 0.54 6.56 -2.00 -2.66 116.57 119.40 1m9p h LYS 6 Ca 0.26 -0.35 -0.08 0.00 -1.06 0.00 0.00 60.65 59.42 1m9p h LYS 6 Cb 2.28 0.08 0.01 0.00 -0.57 0.00 0.00 32.23 34.03 1m9p h LYS 6 CO -0.00 1.00 -0.32 0.93 -2.06 0.00 0.00 179.45 179.00 1m9p h GLU 7 N 0.24 0.19 -0.92 3.15 5.08 -0.54 -3.20 114.58 118.58 1m9p h GLU 7 Ca -0.05 -0.22 0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1m9p h GLU 7 Cb 1.40 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.65 1m9p h GLU 7 CO 0.14 0.99 0.59 -0.22 -1.00 0.00 0.00 179.01 179.50 1m9p h LYS 8 N -0.51 0.81 -0.46 2.33 1.63 -1.50 -0.07 116.57 118.80 1m9p h LYS 8 Ca -0.04 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.60 1m9p h LYS 8 Cb 1.11 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 1m9p h LYS 8 CO 0.06 0.53 -0.16 0.77 -3.45 0.00 0.00 179.45 177.21 1m9p h SER 9 N 0.83 0.89 1.02 4.20 0.02 -1.57 -3.17 113.55 115.77 1m9p h SER 9 Ca 0.45 -0.30 -0.16 0.00 -0.84 0.00 0.00 61.79 60.94 1m9p h SER 9 Cb 0.56 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1m9p h SER 9 CO -0.21 1.04 -0.75 0.00 -1.14 0.00 0.00 176.83 175.76 1m9p h ALA 10 N 1.03 0.61 -0.00 3.77 0.00 -1.08 -3.11 119.26 120.48 1m9p h ALA 10 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1m9p h ALA 10 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1m9p h ALA 10 CO 0.05 0.94 -0.04 1.33 0.00 0.00 0.00 179.25 181.53 1m9p n VAL 11 N -3.42 0.00 -0.11 0.00 0.24 -0.26 -2.65 118.33 112.12 1m9p n VAL 11 Ca 0.00 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 1m9p n VAL 11 Cb 0.79 -0.39 -0.15 0.00 -1.47 0.00 0.00 33.84 32.62 1m9p n VAL 11 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1m9p n THR 12 N -1.28 1.42 0.12 3.34 -2.24 -1.22 -3.51 114.28 110.91 1m9p n THR 12 Ca 0.12 -0.76 -0.03 0.00 -2.27 0.00 0.00 64.05 61.11 1m9p n THR 12 Cb 0.27 -0.78 0.15 0.00 -2.10 0.00 0.00 70.33 67.87 1m9p n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m9p h ALA 13 N 0.67 0.92 0.18 6.98 0.00 -1.56 -1.25 119.26 125.19 1m9p h ALA 13 Ca -0.56 -0.56 -0.32 0.00 0.00 0.00 0.00 54.91 53.48 1m9p h ALA 13 Cb 2.13 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.87 1m9p h ALA 13 CO -0.01 0.76 -1.35 -0.07 0.00 0.00 0.00 179.25 178.58 1m9p h LEU 14 N 0.07 0.87 -1.07 0.00 -0.00 -1.70 -3.18 115.31 110.31 1m9p h LEU 14 Ca -0.01 -0.86 -0.01 0.00 -0.00 0.00 0.00 57.88 57.00 1m9p h LEU 14 Cb 1.11 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1m9p h LEU 14 CO 0.09 1.66 -0.04 -0.25 -0.00 0.00 0.00 178.44 179.90 1m9p h TRP 15 N 0.22 0.00 -0.30 1.13 2.91 -1.58 -2.80 115.95 115.53 1m9p h TRP 15 Ca -0.22 0.00 -0.18 0.00 1.13 0.00 0.00 58.89 59.62 1m9p h TRP 15 Cb 2.03 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 30.68 1m9p h TRP 15 CO 0.12 0.04 -0.51 0.78 -1.03 0.00 0.00 178.44 177.84 1m9p h GLY 16 N 2.51 0.96 1.18 2.65 0.00 -1.23 -2.95 103.07 106.20 1m9p h GLY 16 Ca -0.00 -1.10 0.00 0.00 0.00 0.00 0.00 47.33 46.23 1m9p h GLY 16 CO 0.01 0.99 0.00 0.28 0.00 0.00 0.00 176.54 177.81 1m9p n LYS 17 N -4.03 0.73 -2.20 4.80 5.02 -1.06 -4.86 118.16 116.55 1m9p n LYS 17 Ca -0.04 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 1m9p n LYS 17 Cb 0.61 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 1m9p n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1m9p s VAL 18 N -2.18 3.46 -0.87 -0.18 1.01 -1.12 -4.94 120.40 115.57 1m9p s VAL 18 Ca 0.37 1.01 -0.25 0.00 0.00 0.00 0.00 61.98 63.12 1m9p s VAL 18 Cb 0.19 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1m9p s VAL 18 CO 0.36 0.06 1.45 0.21 0.00 0.00 0.00 175.10 177.18 1m9p s ASN 19 N 1.27 6.17 0.00 3.32 3.84 -1.26 -4.83 114.94 123.44 1m9p s ASN 19 Ca 0.64 -0.86 0.00 0.00 0.21 0.00 0.00 52.86 52.85 1m9p s ASN 19 Cb -0.35 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.79 1m9p s ASN 19 CO 0.29 -1.80 0.27 0.52 -2.79 0.00 0.00 177.10 173.59 1m9p n VAL 20 N 6.79 0.19 0.00 -5.21 0.31 -1.26 -1.96 118.33 117.19 1m9p n VAL 20 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1m9p n VAL 20 Cb 0.50 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 0.61 0.31 0.00 4.52 8.00 -1.26 -4.95 116.55 123.77 1m9p n ASP 21 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1m9p n ASP 21 Cb 0.13 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 -0.16 0.00 -0.31 -1.24 -0.58 -0.83 -4.78 120.64 112.75 1m9p n GLU 22 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 1m9p n GLU 22 Cb 0.00 -0.73 0.38 0.00 -0.57 0.00 0.00 31.44 30.53 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 0.74 -0.56 2.62 -1.51 -1.91 -0.68 116.25 114.95 1m9p h VAL 23 Ca 0.00 -0.23 -0.08 0.00 -1.23 0.00 0.00 66.70 65.16 1m9p h VAL 23 Cb 0.92 0.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.07 1m9p h VAL 23 CO 0.00 0.12 0.04 1.23 -1.23 0.00 0.00 177.57 177.73 1m9p h GLY 24 N 0.67 1.00 2.00 5.19 0.00 -1.82 -1.47 103.07 108.64 1m9p h GLY 24 Ca 0.52 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1m9p h GLY 24 CO -0.27 0.62 -0.12 -1.33 0.00 0.00 0.00 176.54 175.44 1m9p h GLY 25 N 1.00 0.00 1.41 4.60 0.00 -1.37 -2.78 103.07 105.92 1m9p h GLY 25 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.21 1m9p h GLY 25 CO 0.02 0.00 -1.41 0.83 0.00 0.00 0.00 176.54 175.98 1m9p h GLU 26 N 0.00 0.25 0.58 4.80 5.08 -0.92 -2.44 114.58 121.93 1m9p h GLU 26 Ca -0.00 -0.42 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1m9p h GLU 26 Cb 0.87 0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.28 1m9p h GLU 26 CO 0.02 1.14 -0.28 0.00 -1.00 0.00 0.00 179.01 178.89 1m9p h ALA 27 N 0.55 -1.01 -0.64 3.43 0.00 -1.21 0.18 119.26 120.56 1m9p h ALA 27 Ca -0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1m9p h ALA 27 Cb 1.99 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 20.05 1m9p h ALA 27 CO 0.18 -0.95 0.34 1.25 0.00 0.00 0.00 179.25 180.07 1m9p h LEU 28 N -0.92 0.80 -0.26 0.00 5.85 -1.67 -0.27 115.31 118.84 1m9p h LEU 28 Ca -0.08 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1m9p h LEU 28 Cb 0.59 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1m9p h LEU 28 CO 0.13 0.65 0.08 1.23 -0.34 0.00 0.00 178.44 180.19 1m9p h GLY 29 N 0.96 0.43 2.00 3.75 0.00 -1.41 -2.05 103.07 106.75 1m9p h GLY 29 Ca 0.23 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1m9p h GLY 29 CO -0.04 0.24 -0.43 3.21 0.00 0.00 0.00 176.54 179.52 1m9p h ARG 30 N 0.25 0.00 0.13 4.80 3.08 -0.24 -2.77 114.38 119.64 1m9p h ARG 30 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1m9p h ARG 30 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1m9p h ARG 30 CO -0.00 0.43 -0.06 1.25 -1.07 0.00 0.00 179.97 180.51 1m9p h LEU 31 N 0.00 -0.15 -2.20 3.04 5.85 -0.69 0.15 115.31 121.30 1m9p h LEU 31 Ca -0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1m9p h LEU 31 Cb 0.82 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1m9p h LEU 31 CO 0.06 0.00 0.00 -0.07 -0.34 0.00 0.00 178.44 178.09 1m9p h LEU 32 N -0.30 0.00 0.03 2.25 3.38 -1.26 -0.57 115.31 118.85 1m9p h LEU 32 Ca -0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 1m9p h LEU 32 Cb 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1m9p h LEU 32 CO 0.03 0.00 -1.61 0.52 0.09 0.00 0.00 178.44 177.47 1m9p n VAL 33 N -3.04 1.60 0.11 1.22 0.31 -1.00 -3.94 118.33 113.58 1m9p n VAL 33 Ca -0.01 -0.24 -0.04 0.00 -0.01 0.00 0.00 64.34 64.04 1m9p n VAL 33 Cb 0.18 -1.93 0.07 0.00 -0.91 0.00 0.00 33.84 31.25 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 -0.70 1.51 -2.74 2.52 2.07 -0.62 -3.37 116.25 114.91 1m9p h VAL 34 Ca -0.41 -2.48 -0.61 0.00 0.82 0.00 0.00 66.70 64.02 1m9p h VAL 34 Cb 1.54 2.34 -0.40 0.00 -1.52 0.00 0.00 31.29 33.25 1m9p h VAL 34 CO -0.15 0.71 -0.75 -1.22 0.02 0.00 0.00 177.57 176.18 1m9p n TYR 35 N -3.69 1.47 -0.36 1.57 4.01 -0.23 -5.03 117.16 114.91 1m9p n TYR 35 Ca -0.01 -3.88 0.37 0.00 -0.16 0.00 0.00 57.90 54.22 1m9p n TYR 35 Cb 0.72 -0.25 0.75 0.00 -0.31 0.00 0.00 39.34 40.25 1m9p n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1m9p h PRO 36 N 5.43 0.00 0.00 -0.72 0.11 -1.74 -1.98 132.00 133.10 1m9p h PRO 36 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1m9p h PRO 36 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1m9p h PRO 36 CO 0.57 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.69 1m9p n TRP 37 N -4.08 0.00 0.36 0.65 2.14 -1.26 -1.69 117.44 113.56 1m9p n TRP 37 Ca 0.27 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.97 1m9p n TRP 37 Cb 1.35 -0.17 0.17 0.00 -0.81 0.00 0.00 31.31 31.85 1m9p n TRP 37 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1m9p h THR 38 N 0.00 0.00 0.00 -1.67 1.35 -1.67 -3.27 112.91 107.65 1m9p h THR 38 Ca 0.00 -0.77 -0.05 0.00 -0.55 0.00 0.00 66.41 65.04 1m9p h THR 38 Cb 0.08 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 1m9p h THR 38 CO 0.00 0.00 -0.25 1.56 -0.25 0.00 0.00 175.52 176.58 1m9p h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.55 -2.93 115.11 119.55 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 0.88 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 1m9p h GLN 39 CO 0.00 0.25 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.28 1m9p h ARG 40 N 0.00 0.00 -0.01 1.46 2.43 -1.75 -0.45 114.38 116.06 1m9p h ARG 40 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1m9p h ARG 40 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1m9p h ARG 40 CO 0.03 0.03 -0.20 1.19 -1.51 0.00 0.00 179.97 179.52 1m9p n PHE 41 N -3.99 0.00 -2.89 2.20 3.01 -1.10 -4.29 117.46 110.39 1m9p n PHE 41 Ca -0.03 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.21 1m9p n PHE 41 Cb 0.12 -0.12 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.63 2.39 0.11 1.38 3.72 -0.18 -4.86 117.46 119.38 1m9p n PHE 42 Ca 0.13 -3.62 -0.04 0.00 -0.05 0.00 0.00 57.45 53.88 1m9p n PHE 42 Cb 0.33 -0.38 0.06 0.00 -0.94 0.00 0.00 39.48 38.55 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 2.92 0.02 -0.86 -1.08 5.08 -1.74 -3.14 114.58 115.77 1m9p h GLU 43 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1m9p h GLU 43 Cb 0.81 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1m9p h GLU 43 CO 0.69 0.77 0.00 -1.13 -1.00 0.00 0.00 179.01 178.34 1m9p n SER 44 N -3.64 1.75 -0.64 1.42 3.41 -1.26 -3.93 113.62 110.73 1m9p n SER 44 Ca -0.01 -2.15 0.06 0.00 -0.26 0.00 0.00 58.87 56.51 1m9p n SER 44 Cb 0.74 -0.50 0.13 0.00 -0.26 0.00 0.00 64.21 64.33 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 0.09 0.37 -2.52 7.33 3.01 -1.19 -5.11 117.46 119.45 1m9p n PHE 45 Ca 0.05 -0.36 0.00 0.00 1.01 0.00 0.00 57.45 58.15 1m9p n PHE 45 Cb 0.39 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.63 0.87 3.67 1.37 0.00 -1.25 -4.82 105.19 105.66 1m9p n GLY 46 Ca 0.11 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1m9p n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1m9p s ASP 47 N -4.00 6.83 0.00 1.61 -1.08 -1.26 -4.84 116.67 113.93 1m9p s ASP 47 Ca 0.00 2.04 0.00 0.00 -0.52 0.00 0.00 52.55 54.07 1m9p s ASP 47 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1m9p s ASP 47 CO 0.00 -0.78 0.36 0.18 0.52 0.00 0.00 175.17 175.45 1m9p n LEU 48 N 6.09 0.05 -0.15 -1.34 4.77 -1.26 -4.46 117.00 120.70 1m9p n LEU 48 Ca 0.14 -0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1m9p n LEU 48 Cb 0.44 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.58 1m9p n LEU 48 CO 0.59 0.01 0.95 0.77 -1.33 0.00 0.00 177.39 178.38 1m9p h SER 49 N 0.00 0.15 -2.96 -1.43 4.64 -1.92 -3.42 113.55 108.62 1m9p h SER 49 Ca 0.00 0.06 -0.61 0.00 -0.47 0.00 0.00 61.79 60.77 1m9p h SER 49 Cb 0.83 0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.86 1m9p h SER 49 CO 0.00 0.12 -0.66 0.42 -0.87 0.00 0.00 176.83 175.84 1m9p s THR 50 N -6.13 3.81 0.51 2.95 -4.23 -1.26 -5.02 115.64 106.26 1m9p s THR 50 Ca -0.13 -1.33 0.16 0.00 -1.18 0.00 0.00 61.69 59.21 1m9p s THR 50 Cb 0.14 -2.90 0.26 0.00 1.34 0.00 0.00 72.50 71.35 1m9p s THR 50 CO 0.73 -0.07 2.13 1.55 -0.54 0.00 0.00 174.62 178.42 1m9p h PRO 51 N 2.82 0.00 -0.31 3.99 0.13 -2.00 -0.98 132.00 135.66 1m9p h PRO 51 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1m9p h PRO 51 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1m9p h PRO 51 CO 0.58 0.02 -0.40 -0.44 -0.23 0.00 0.00 178.00 177.54 1m9p h ASP 52 N 0.00 0.78 0.60 1.44 5.19 -1.96 -0.35 116.42 122.13 1m9p h ASP 52 Ca -0.00 -0.35 -0.14 0.00 -0.62 0.00 0.00 57.03 55.92 1m9p h ASP 52 Cb 0.04 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 1m9p h ASP 52 CO 0.00 1.08 -0.64 0.00 -3.12 0.00 0.00 179.24 176.56 1m9p h ALA 53 N 0.96 0.92 -0.09 3.45 0.00 -1.71 0.27 119.26 123.06 1m9p h ALA 53 Ca 0.05 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 1m9p h ALA 53 Cb 0.94 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1m9p h ALA 53 CO 0.09 0.79 -0.81 0.28 0.00 0.00 0.00 179.25 179.60 1m9p h VAL 54 N 0.03 1.30 0.02 0.00 2.07 -0.95 -2.45 116.25 116.27 1m9p h VAL 54 Ca -0.01 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 65.47 1m9p h VAL 54 Cb 1.14 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1m9p h VAL 54 CO 0.09 0.64 -0.01 0.24 0.02 0.00 0.00 177.57 178.54 1m9p h MET 55 N 0.39 -0.03 0.00 1.57 2.86 -0.90 -3.24 114.93 115.59 1m9p h MET 55 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1m9p h MET 55 Cb 1.46 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.12 1m9p h MET 55 CO 0.16 0.45 0.00 0.41 1.06 0.00 0.00 176.91 179.00 1m9p n GLY 56 N 0.23 -1.01 3.69 8.32 0.00 0.95 -4.79 105.19 112.58 1m9p n GLY 56 Ca -0.08 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1m9p n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1m9p s ASN 57 N -2.89 6.75 0.51 1.61 2.47 -0.92 -4.94 114.94 117.53 1m9p s ASN 57 Ca 0.10 2.24 0.22 0.00 0.42 0.00 0.00 52.86 55.84 1m9p s ASN 57 Cb 0.11 -2.56 1.34 0.00 -1.45 0.00 0.00 41.25 38.69 1m9p s ASN 57 CO 0.29 -0.79 2.08 1.55 -3.72 0.00 0.00 177.10 176.51 1m9p h PRO 58 N 8.14 0.00 -0.01 0.43 0.13 -1.91 -2.85 132.00 135.93 1m9p h PRO 58 Ca -0.39 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.55 1m9p h PRO 58 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1m9p h PRO 58 CO 0.92 0.11 -0.83 0.87 -0.23 0.00 0.00 178.00 178.84 1m9p h LYS 59 N 0.00 0.24 -0.05 0.86 1.57 -1.92 0.31 116.57 117.58 1m9p h LYS 59 Ca -0.00 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1m9p h LYS 59 Cb 0.24 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1m9p h LYS 59 CO 0.01 0.94 0.01 0.28 -0.57 0.00 0.00 179.45 180.12 1m9p h VAL 60 N 0.14 1.19 -0.57 0.50 2.07 -1.82 0.89 116.25 118.64 1m9p h VAL 60 Ca -0.04 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 1m9p h VAL 60 Cb 1.43 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1m9p h VAL 60 CO 0.13 0.16 0.01 0.11 0.02 0.00 0.00 177.57 177.99 1m9p h LYS 61 N -0.13 0.98 -0.20 1.57 1.57 -1.47 0.03 116.57 118.92 1m9p h LYS 61 Ca 0.02 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 1m9p h LYS 61 Cb 0.24 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1m9p h LYS 61 CO 0.00 0.96 -0.11 0.00 -0.57 0.00 0.00 179.45 179.73 1m9p h ALA 62 N 1.09 0.28 -0.35 3.86 0.00 -0.81 -3.02 119.26 120.31 1m9p h ALA 62 Ca 0.17 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1m9p h ALA 62 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1m9p h ALA 62 CO 0.03 0.13 -0.31 1.25 0.00 0.00 0.00 179.25 180.34 1m9p h HIS 63 N 0.12 0.99 -0.45 0.00 -0.00 -0.76 -3.14 115.15 111.92 1m9p h HIS 63 Ca 0.04 -0.29 0.13 0.00 -0.00 0.00 0.00 60.37 60.25 1m9p h HIS 63 Cb 0.61 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.79 1m9p h HIS 63 CO 0.07 1.08 0.39 0.78 -0.00 0.00 0.00 177.93 180.25 1m9p h GLY 64 N 0.63 0.00 1.49 5.26 0.00 -0.96 -0.65 103.07 108.84 1m9p h GLY 64 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.21 1m9p h GLY 64 CO 0.08 0.00 -0.70 1.70 0.00 0.00 0.00 176.54 177.62 1m9p h LYS 65 N 0.00 0.50 -0.07 4.80 3.64 -1.47 -1.50 116.57 122.47 1m9p h LYS 65 Ca 0.21 -0.39 -0.18 0.00 -1.27 0.00 0.00 60.65 59.02 1m9p h LYS 65 Cb 1.00 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1m9p h LYS 65 CO -0.00 1.02 -0.72 0.87 -2.27 0.00 0.00 179.45 178.35 1m9p h LYS 66 N 0.35 0.37 -0.38 1.90 1.57 -1.26 0.12 116.57 119.25 1m9p h LYS 66 Ca -0.03 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.37 1m9p h LYS 66 Cb 1.27 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1m9p h LYS 66 CO 0.13 0.94 -0.09 0.28 -0.57 0.00 0.00 179.45 180.13 1m9p h VAL 67 N 0.26 1.28 0.00 0.50 2.07 -1.42 -1.40 116.25 117.53 1m9p h VAL 67 Ca -0.03 -1.18 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 1m9p h VAL 67 Cb 1.28 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1m9p h VAL 67 CO 0.12 0.39 -0.38 0.25 0.02 0.00 0.00 177.57 177.97 1m9p h LEU 68 N 0.54 0.00 -0.80 2.57 5.85 -1.13 -2.29 115.31 120.04 1m9p h LEU 68 Ca 0.10 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1m9p h LEU 68 Cb 0.61 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1m9p h LEU 68 CO 0.04 0.38 0.21 1.23 -0.34 0.00 0.00 178.44 179.96 1m9p h GLY 69 N 1.35 1.19 1.43 3.75 0.00 -0.04 -2.17 103.07 108.58 1m9p h GLY 69 Ca -0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.52 1m9p h GLY 69 CO 0.05 0.66 -0.18 0.00 0.00 0.00 0.00 176.54 177.08 1m9p h ALA 70 N 1.16 1.02 -0.23 3.60 0.00 -0.71 -2.02 119.26 122.08 1m9p h ALA 70 Ca 0.23 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1m9p h ALA 70 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1m9p h ALA 70 CO -0.00 0.59 -0.36 0.74 0.00 0.00 0.00 179.25 180.21 1m9p h PHE 71 N 0.60 0.58 -0.27 0.00 0.04 -1.23 0.52 116.94 117.17 1m9p h PHE 71 Ca 0.09 -0.15 -0.14 0.00 2.80 0.00 0.00 57.97 60.57 1m9p h PHE 71 Cb 0.63 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1m9p h PHE 71 CO 0.03 0.79 -0.40 0.77 -0.60 0.00 0.00 178.31 178.90 1m9p h SER 72 N 0.42 0.69 -0.46 2.17 0.02 -1.12 0.20 113.55 115.46 1m9p h SER 72 Ca 0.05 -0.31 -0.08 0.00 -0.84 0.00 0.00 61.79 60.61 1m9p h SER 72 Cb 0.82 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1m9p h SER 72 CO 0.07 1.00 -0.02 -0.78 -1.14 0.00 0.00 176.83 175.96 1m9p h ASP 73 N 0.53 0.82 1.59 3.07 3.58 -1.07 -1.94 116.42 122.99 1m9p h ASP 73 Ca 0.05 -0.32 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 1m9p h ASP 73 Cb 0.92 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.74 1m9p h ASP 73 CO 0.08 0.94 -0.10 1.23 -2.88 0.00 0.00 179.24 178.51 1m9p h GLY 74 N 0.68 0.00 1.99 -0.78 0.00 -0.56 -2.84 103.07 101.55 1m9p h GLY 74 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 1m9p h GLY 74 CO 0.03 0.00 -0.52 1.41 0.00 0.00 0.00 176.54 177.46 1m9p h LEU 75 N 0.00 0.00 0.20 3.11 3.38 -0.24 -3.19 115.31 118.57 1m9p h LEU 75 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1m9p h LEU 75 Cb 0.92 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.69 1m9p h LEU 75 CO 0.01 0.51 -1.44 0.00 0.09 0.00 0.00 178.44 177.61 1m9p h ALA 76 N 1.49 -0.02 -1.31 1.53 0.00 -1.25 -3.36 119.26 116.35 1m9p h ALA 76 Ca -0.01 -0.94 -0.74 0.00 0.00 0.00 0.00 54.91 53.22 1m9p h ALA 76 Cb 1.39 0.29 -0.31 0.00 0.00 0.00 0.00 17.79 19.16 1m9p h ALA 76 CO 0.07 0.75 0.60 0.72 0.00 0.00 0.00 179.25 181.38 1m9p n HIS 77 N -3.78 3.10 1.00 0.00 8.25 -1.08 -4.78 115.22 117.93 1m9p n HIS 77 Ca -0.20 -2.71 0.05 0.00 -0.26 0.00 0.00 57.72 54.61 1m9p n HIS 77 Cb 1.02 -0.95 0.31 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.34 0.00 -0.04 2.41 7.94 -1.21 -1.91 117.00 123.85 1m9p n LEU 78 Ca 0.47 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.28 1m9p n LEU 78 Cb 0.32 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.13 1m9p n LEU 78 CO 0.47 0.00 -0.68 -0.67 -1.11 0.00 0.00 177.39 175.39 1m9p n ASP 79 N -0.83 0.65 -3.34 1.96 -0.08 -1.26 0.84 116.55 114.49 1m9p n ASP 79 Ca 0.08 0.31 -0.24 0.00 -1.51 0.00 0.00 54.79 53.43 1m9p n ASP 79 Cb 0.04 0.20 -0.09 0.00 2.34 0.00 0.00 41.12 43.61 1m9p n ASP 79 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1m9p s ASN 80 N -5.94 1.33 0.15 1.67 3.84 -0.80 -4.40 114.94 110.79 1m9p s ASN 80 Ca -0.06 -2.70 0.04 0.00 0.21 0.00 0.00 52.86 50.35 1m9p s ASN 80 Cb 0.07 -0.12 -0.08 0.00 -0.55 0.00 0.00 41.25 40.57 1m9p s ASN 80 CO 0.83 -0.19 1.33 -0.07 -2.79 0.00 0.00 177.10 176.21 1m9p h LEU 81 N 5.88 0.18 -1.80 3.21 3.38 -1.82 -3.30 115.31 121.04 1m9p h LEU 81 Ca 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1m9p h LEU 81 Cb 0.95 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1m9p h LEU 81 CO 0.30 1.03 -0.14 0.11 0.09 0.00 0.00 178.44 179.83 1m9p h LYS 82 N 0.06 0.00 0.00 1.13 1.57 -1.89 -2.78 116.57 114.66 1m9p h LYS 82 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1m9p h LYS 82 Cb 1.63 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.94 1m9p h LYS 82 CO 0.14 0.14 -0.08 0.78 -0.57 0.00 0.00 179.45 179.85 1m9p h GLY 83 N 0.50 0.00 2.00 3.86 0.00 -1.95 -2.65 103.07 104.84 1m9p h GLY 83 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m9p h GLY 83 CO 0.02 0.00 -0.00 -0.91 0.00 0.00 0.00 176.54 175.64 1m9p h THR 84 N -1.00 0.48 -0.10 4.70 1.35 -1.63 -1.52 112.91 115.18 1m9p h THR 84 Ca -0.02 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1m9p h THR 84 Cb 0.87 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1m9p h THR 84 CO -0.01 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.75 1m9p n PHE 85 N -3.77 0.11 -0.05 4.73 3.72 -1.05 -4.58 117.46 116.57 1m9p n PHE 85 Ca -0.03 -0.08 0.20 0.00 -0.05 0.00 0.00 57.45 57.49 1m9p n PHE 85 Cb 0.08 -0.00 0.65 0.00 -0.94 0.00 0.00 39.48 39.27 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 3.34 2.45 0.07 4.37 0.00 -0.88 -0.66 119.26 127.94 1m9p h ALA 86 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1m9p h ALA 86 Cb 0.74 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1m9p h ALA 86 CO 0.00 -0.62 -1.58 0.00 0.00 0.00 0.00 179.25 177.05 1m9p h THR 87 N 0.09 1.06 -0.71 0.00 1.03 -1.81 -3.33 112.91 109.24 1m9p h THR 87 Ca 0.29 -2.78 -0.05 0.00 -0.01 0.00 0.00 66.41 63.86 1m9p h THR 87 Cb 1.04 2.63 -0.03 0.00 -1.07 0.00 0.00 68.15 70.72 1m9p h THR 87 CO -0.03 0.74 0.24 -0.07 -0.01 0.00 0.00 175.52 176.39 1m9p h LEU 88 N 0.04 1.02 -1.60 0.00 -0.00 -1.45 -2.76 115.31 110.57 1m9p h LEU 88 Ca -0.25 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 57.39 1m9p h LEU 88 Cb 1.99 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 42.37 1m9p h LEU 88 CO 0.12 0.95 -0.21 0.77 -0.00 0.00 0.00 178.44 180.07 1m9p h SER 89 N 1.04 0.00 -0.20 -0.43 4.64 -1.42 -1.77 113.55 115.41 1m9p h SER 89 Ca 0.23 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.46 1m9p h SER 89 Cb 0.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1m9p h SER 89 CO -0.01 0.21 -0.23 -0.33 -0.87 0.00 0.00 176.83 175.60 1m9p h GLU 90 N 0.00 0.50 -0.22 4.77 5.08 -1.60 -0.55 114.58 122.56 1m9p h GLU 90 Ca -0.00 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 1m9p h GLU 90 Cb 0.38 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1m9p h GLU 90 CO 0.03 0.86 0.06 1.25 -1.00 0.00 0.00 179.01 180.21 1m9p h LEU 91 N 0.17 0.33 -0.00 1.33 7.12 -1.35 -2.99 115.31 119.91 1m9p h LEU 91 Ca 0.03 -0.23 -0.27 0.00 0.13 0.00 0.00 57.88 57.54 1m9p h LEU 91 Cb 0.79 -0.09 0.02 0.00 -0.53 0.00 0.00 40.66 40.85 1m9p h LEU 91 CO 0.05 0.47 -1.06 0.45 -0.13 0.00 0.00 178.44 178.23 1m9p h HIS 92 N 0.18 1.01 0.00 1.25 3.86 -1.39 -1.78 115.15 118.28 1m9p h HIS 92 Ca 0.07 -0.56 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1m9p h HIS 92 Cb 0.27 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1m9p h HIS 92 CO 0.01 1.40 0.00 0.00 0.86 0.00 0.00 177.93 180.20 1m9p n ASP 94 N -0.81 0.00 0.07 0.00 9.92 -1.14 -1.77 116.55 122.81 1m9p n ASP 94 Ca 0.00 0.27 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1m9p n ASP 94 Cb 0.00 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 1m9p n ASP 94 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1m9p n LYS 95 N -1.24 0.00 0.20 -1.24 4.81 -1.16 -4.89 118.16 114.64 1m9p n LYS 95 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.54 1m9p n LYS 95 Cb 0.06 -0.27 0.17 0.00 0.02 0.00 0.00 35.03 35.00 1m9p n LYS 95 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1m9p h LEU 96 N 0.00 0.00 -1.86 3.14 5.85 -1.37 -3.49 115.31 117.58 1m9p h LEU 96 Ca 0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 1m9p h LEU 96 Cb 0.13 0.00 0.16 0.00 0.37 0.00 0.00 40.66 41.32 1m9p h LEU 96 CO 0.00 0.15 -0.80 1.41 -0.34 0.00 0.00 178.44 178.86 1m9p n HIS 97 N -3.15 -2.21 -3.16 1.25 8.25 -0.38 -4.96 115.22 110.87 1m9p n HIS 97 Ca 0.03 0.90 -0.40 0.00 -0.26 0.00 0.00 57.72 58.00 1m9p n HIS 97 Cb 0.57 -4.79 -0.06 0.00 1.12 0.00 0.00 29.99 26.83 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 -3.40 5.04 0.18 1.59 1.01 -0.67 -5.02 120.40 119.12 1m9p s VAL 98 Ca 0.10 1.08 -0.32 0.00 0.00 0.00 0.00 61.98 62.85 1m9p s VAL 98 Cb -0.02 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 1m9p s VAL 98 CO 0.74 0.11 1.65 -0.62 0.00 0.00 0.00 175.10 176.98 1m9p s ASP 99 N 1.29 6.49 0.56 3.32 -1.08 -1.26 -4.76 116.67 121.23 1m9p s ASP 99 Ca 0.26 2.73 0.46 0.00 -0.52 0.00 0.00 52.55 55.48 1m9p s ASP 99 Cb -0.16 -2.59 1.64 0.00 -1.46 0.00 0.00 42.92 40.34 1m9p s ASP 99 CO 0.10 -0.90 1.58 -0.65 0.52 0.00 0.00 175.17 175.82 1m9p h PRO 100 N 6.88 0.00 -0.58 4.34 0.11 -1.98 -1.14 132.00 139.63 1m9p h PRO 100 Ca -0.43 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1m9p h PRO 100 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1m9p h PRO 100 CO 0.94 0.00 0.07 0.93 -0.21 0.00 0.00 178.00 179.73 1m9p h GLU 101 N 0.00 0.95 0.00 1.05 4.39 -2.01 -2.81 114.58 116.15 1m9p h GLU 101 Ca 0.84 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 60.29 1m9p h GLU 101 Cb 3.46 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 31.99 1m9p h GLU 101 CO -0.01 0.89 0.00 0.09 -1.16 0.00 0.00 179.01 178.82 1m9p n ASN 102 N -4.22 0.33 0.11 1.42 3.02 -0.43 -1.51 115.26 113.97 1m9p n ASN 102 Ca 0.04 0.63 -0.22 0.00 -0.03 0.00 0.00 54.58 55.00 1m9p n ASN 102 Cb 0.28 -0.68 -0.15 0.00 -0.61 0.00 0.00 39.78 38.62 1m9p n ASN 102 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1m9p h PHE 103 N 0.00 0.77 -0.01 3.10 0.04 -1.66 -2.90 116.94 116.29 1m9p h PHE 103 Ca 0.00 -0.56 -0.16 0.00 2.80 0.00 0.00 57.97 60.05 1m9p h PHE 103 Cb 0.07 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1m9p h PHE 103 CO 0.00 1.52 -0.74 0.00 -0.60 0.00 0.00 178.31 178.49 1m9p h ARG 104 N 0.12 0.09 -0.06 1.51 3.08 -1.38 -2.72 114.38 115.01 1m9p h ARG 104 Ca -0.26 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 1m9p h ARG 104 Cb 2.10 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.17 1m9p h ARG 104 CO 0.23 0.79 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.80 1m9p h LEU 105 N 0.06 0.15 -0.69 3.04 3.38 -1.57 -1.50 115.31 118.18 1m9p h LEU 105 Ca -0.02 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 1m9p h LEU 105 Cb 1.30 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 1m9p h LEU 105 CO 0.10 0.57 0.20 0.25 0.09 0.00 0.00 178.44 179.65 1m9p h LEU 106 N -0.27 1.01 -1.94 1.67 5.85 -1.57 0.21 115.31 120.28 1m9p h LEU 106 Ca 0.01 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1m9p h LEU 106 Cb 0.52 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1m9p h LEU 106 CO 0.01 0.96 -0.07 1.23 -0.34 0.00 0.00 178.44 180.23 1m9p h GLY 107 N 1.01 0.00 1.11 3.75 0.00 -1.45 -0.14 103.07 107.35 1m9p h GLY 107 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.34 1m9p h GLY 107 CO -0.00 0.00 -1.43 3.43 0.00 0.00 0.00 176.54 178.53 1m9p h ASN 108 N 0.00 0.00 0.49 0.19 -0.26 -0.37 -2.85 115.58 112.78 1m9p h ASN 108 Ca -0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.58 1m9p h ASN 108 Cb 0.14 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1m9p h ASN 108 CO 0.01 0.75 -0.70 -0.37 -1.06 0.00 0.00 177.43 176.06 1m9p h VAL 109 N 0.00 1.44 -0.50 2.81 -1.51 0.03 -1.80 116.25 116.72 1m9p h VAL 109 Ca -0.19 -2.23 -0.09 0.00 -1.23 0.00 0.00 66.70 62.96 1m9p h VAL 109 Cb 1.73 2.19 -0.02 0.00 -2.13 0.00 0.00 31.29 33.06 1m9p h VAL 109 CO 0.06 0.65 -0.02 0.25 -1.23 0.00 0.00 177.57 177.28 1m9p h LEU 110 N 0.12 0.88 -0.93 4.19 5.85 -1.12 0.36 115.31 124.66 1m9p h LEU 110 Ca -0.02 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1m9p h LEU 110 Cb 1.24 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1m9p h LEU 110 CO 0.10 0.99 0.45 0.58 -0.34 0.00 0.00 178.44 180.22 1m9p h VAL 111 N 0.75 1.25 -0.05 1.05 2.07 -1.26 -0.71 116.25 119.36 1m9p h VAL 111 Ca 0.14 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1m9p h VAL 111 Cb 0.55 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1m9p h VAL 111 CO 0.03 0.29 -0.35 0.00 0.02 0.00 0.00 177.57 177.57 1m9p h VAL 113 N 0.09 1.32 0.00 0.00 2.07 0.35 -0.44 116.25 119.64 1m9p h VAL 113 Ca 0.01 -2.06 -0.05 0.00 0.82 0.00 0.00 66.70 65.43 1m9p h VAL 113 Cb 0.66 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1m9p h VAL 113 CO 0.05 0.63 -0.22 -0.07 0.02 0.00 0.00 177.57 177.98 1m9p h LEU 114 N 0.31 0.00 -0.05 2.57 3.38 -1.05 0.24 115.31 120.72 1m9p h LEU 114 Ca -0.08 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 1m9p h LEU 114 Cb 1.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.21 1m9p h LEU 114 CO 0.16 0.22 -0.76 0.00 0.09 0.00 0.00 178.44 178.15 1m9p h ALA 115 N 1.78 0.16 -0.57 1.53 0.00 -1.36 -0.45 119.26 120.34 1m9p h ALA 115 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1m9p h ALA 115 Cb 0.40 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1m9p h ALA 115 CO 0.03 0.53 0.30 1.25 0.00 0.00 0.00 179.25 181.36 1m9p h HIS 116 N 0.23 0.80 -0.33 0.00 6.17 -0.07 -1.71 115.15 120.24 1m9p h HIS 116 Ca -0.08 -0.03 -0.13 0.00 0.71 0.00 0.00 60.37 60.84 1m9p h HIS 116 Cb 1.43 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 31.10 1m9p h HIS 116 CO 0.11 0.59 -0.29 0.45 0.71 0.00 0.00 177.93 179.50 1m9p h HIS 117 N 0.77 0.93 0.00 5.26 -0.00 -0.54 -3.36 115.15 118.21 1m9p h HIS 117 Ca 0.20 -0.27 -0.18 0.00 -0.00 0.00 0.00 60.37 60.12 1m9p h HIS 117 Cb 0.07 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 1m9p h HIS 117 CO -0.01 1.04 -1.93 1.19 -0.00 0.00 0.00 177.93 178.22 1m9p n PHE 118 N -4.21 0.32 0.00 2.45 3.72 -0.18 -5.06 117.46 114.50 1m9p n PHE 118 Ca -0.03 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1m9p n PHE 118 Cb 0.48 -0.86 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 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 1.47 2.31 0.28 1.37 0.00 -0.65 -2.99 105.19 106.99 1m9p n GLY 119 Ca -0.15 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.57 1.61 3.64 -1.97 -1.78 116.57 117.50 1m9p h LYS 120 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1m9p h LYS 120 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1m9p h LYS 120 CO 0.00 0.01 0.27 0.93 -2.27 0.00 0.00 179.45 178.39 1m9p h GLU 121 N 0.00 0.81 -4.23 1.90 5.08 -1.94 -3.21 114.58 112.99 1m9p h GLU 121 Ca -0.00 -0.10 -0.71 0.00 -1.00 0.00 0.00 59.36 57.54 1m9p h GLU 121 Cb 0.02 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.05 1m9p h GLU 121 CO 0.00 0.63 2.80 0.34 -1.00 0.00 0.00 179.01 181.78 1m9p n PHE 122 N -4.36 3.67 -1.22 4.33 7.35 -0.67 -4.94 117.46 121.62 1m9p n PHE 122 Ca 0.05 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.50 1m9p n PHE 122 Cb 0.13 -2.48 0.13 0.00 0.35 0.00 0.00 39.48 37.61 1m9p n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1m9p s THR 123 N 2.93 2.78 0.26 -2.13 -4.23 -1.21 -4.79 115.64 109.24 1m9p s THR 123 Ca 0.47 0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 61.22 1m9p s THR 123 Cb 0.11 -2.74 0.24 0.00 1.34 0.00 0.00 72.50 71.45 1m9p s THR 123 CO -0.05 -0.33 1.80 -0.65 -0.54 0.00 0.00 174.62 174.85 1m9p h PRO 124 N -1.47 0.78 0.00 3.99 0.11 -1.92 -1.80 132.00 131.69 1m9p h PRO 124 Ca -0.48 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 1m9p h PRO 124 Cb 1.27 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1m9p h PRO 124 CO 0.54 0.51 -0.22 -1.35 -0.21 0.00 0.00 178.00 177.28 1m9p h PRO 125 N 0.80 0.00 0.00 1.05 0.11 -1.98 -1.22 132.00 130.75 1m9p h PRO 125 Ca 0.45 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.41 1m9p h PRO 125 Cb 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1m9p h PRO 125 CO -0.29 0.22 -0.69 0.28 -0.21 0.00 0.00 178.00 177.31 1m9p h VAL 126 N 0.00 1.20 0.00 3.15 2.07 -1.79 -3.10 116.25 117.78 1m9p h VAL 126 Ca -0.00 -2.66 -0.00 0.00 0.82 0.00 0.00 66.70 64.86 1m9p h VAL 126 Cb 0.72 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1m9p h VAL 126 CO 0.03 0.68 -0.00 -0.61 0.02 0.00 0.00 177.57 177.68 1m9p h GLN 127 N 0.00 -0.00 -1.10 1.57 4.15 -0.82 -2.90 115.11 116.01 1m9p h GLN 127 Ca -0.01 0.00 0.31 0.00 0.77 0.00 0.00 58.65 59.72 1m9p h GLN 127 Cb 1.51 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 29.10 1m9p h GLN 127 CO 0.09 0.74 0.70 0.00 -1.93 0.00 0.00 178.83 178.43 1m9p h ALA 128 N 0.25 2.32 0.05 3.38 0.00 -1.30 0.22 119.26 124.19 1m9p h ALA 128 Ca -0.00 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1m9p h ALA 128 Cb 0.74 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1m9p h ALA 128 CO 0.00 -0.79 -0.41 0.00 0.00 0.00 0.00 179.25 178.04 1m9p h ALA 129 N 1.63 -0.02 0.00 0.00 0.00 -1.62 -3.18 119.26 116.07 1m9p h ALA 129 Ca 0.66 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1m9p h ALA 129 Cb 1.76 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1m9p h ALA 129 CO -0.35 0.19 -0.10 1.88 0.00 0.00 0.00 179.25 180.87 1m9p h TYR 130 N -0.55 0.00 -0.28 0.00 0.05 -0.83 -2.22 116.97 113.13 1m9p h TYR 130 Ca -0.07 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.62 1m9p h TYR 130 Cb 1.26 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.99 1m9p h TYR 130 CO 0.21 0.10 -0.21 1.96 -1.05 0.00 0.00 178.16 179.17 1m9p h GLN 131 N 0.00 0.64 -0.52 4.88 1.08 -0.70 0.11 115.11 120.60 1m9p h GLN 131 Ca -0.00 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 1m9p h GLN 131 Cb 0.24 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 1m9p h GLN 131 CO 0.01 0.91 0.29 0.87 -0.95 0.00 0.00 178.83 179.96 1m9p h LYS 132 N 0.38 0.71 0.45 1.46 1.57 -1.40 0.32 116.57 120.05 1m9p h LYS 132 Ca 0.05 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1m9p h LYS 132 Cb 0.76 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1m9p h LYS 132 CO 0.06 0.52 -0.21 0.28 -0.57 0.00 0.00 179.45 179.52 1m9p h VAL 133 N 0.72 0.00 0.00 0.50 2.07 -1.21 -1.63 116.25 116.70 1m9p h VAL 133 Ca 0.19 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1m9p h VAL 133 Cb 0.02 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1m9p h VAL 133 CO -0.03 0.00 -0.07 -0.37 0.02 0.00 0.00 177.57 177.12 1m9p h VAL 134 N -1.03 0.55 -0.14 2.57 -1.51 -0.59 -0.57 116.25 115.53 1m9p h VAL 134 Ca -0.06 -0.31 -0.12 0.00 -1.23 0.00 0.00 66.70 64.98 1m9p h VAL 134 Cb 0.46 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1m9p h VAL 134 CO 0.10 0.07 -0.39 0.00 -1.23 0.00 0.00 177.57 176.12 1m9p h ALA 135 N 1.93 0.24 -0.82 5.19 0.00 -0.42 -2.82 119.26 122.56 1m9p h ALA 135 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1m9p h ALA 135 Cb 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1m9p h ALA 135 CO 0.01 0.34 0.38 0.78 0.00 0.00 0.00 179.25 180.76 1m9p h GLY 136 N 0.14 1.28 1.37 0.00 0.00 -0.14 -0.16 103.07 105.55 1m9p h GLY 136 Ca -0.01 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1m9p h GLY 136 CO 0.08 0.61 -0.07 -2.08 0.00 0.00 0.00 176.54 175.08 1m9p h VAL 137 N 1.18 1.25 0.08 4.60 2.07 -1.22 -1.67 116.25 122.52 1m9p h VAL 137 Ca 0.28 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1m9p h VAL 137 Cb 0.14 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1m9p h VAL 137 CO -0.03 0.38 -0.04 0.00 0.02 0.00 0.00 177.57 177.90 1m9p h ALA 138 N 1.22 -0.10 0.00 1.67 0.00 -1.18 0.17 119.26 121.04 1m9p h ALA 138 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1m9p h ALA 138 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1m9p h ALA 138 CO 0.03 -0.36 0.00 -0.91 0.00 0.00 0.00 179.25 178.01 1m9p h ASN 139 N -0.50 0.00 0.14 0.00 2.35 -0.98 0.31 115.58 116.91 1m9p h ASN 139 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1m9p h ASN 139 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1m9p h ASN 139 CO 0.02 0.00 -1.89 0.00 -1.65 0.00 0.00 177.43 173.91 1m9p n ALA 140 N -1.85 2.64 0.52 -0.83 0.00 -0.64 -3.65 120.51 116.70 1m9p n ALA 140 Ca -0.00 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.01 1m9p n ALA 140 Cb 0.14 -0.75 0.19 0.00 0.00 0.00 0.00 19.45 19.03 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 0.00 0.00 -2.40 0.00 7.12 0.13 -3.27 115.31 116.89 1m9p h LEU 141 Ca -0.05 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1m9p h LEU 141 Cb 1.12 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1m9p h LEU 141 CO 0.00 0.07 0.00 0.00 -0.13 0.00 0.00 178.44 178.39 1m9p n ALA 142 N -1.87 2.33 0.03 1.25 0.00 -0.41 -4.43 120.51 117.41 1m9p n ALA 142 Ca 0.03 -1.00 0.09 0.00 0.00 0.00 0.00 53.44 52.56 1m9p n ALA 142 Cb 0.45 -0.58 0.52 0.00 0.00 0.00 0.00 19.45 19.84 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 2.91 0.34 -2.11 0.00 6.17 -1.63 -2.85 115.15 117.98 1m9p h HIS 143 Ca 0.00 0.01 -0.74 0.00 0.71 0.00 0.00 60.37 60.35 1m9p h HIS 143 Cb 0.76 -0.11 -0.31 0.00 2.52 0.00 0.00 27.41 30.27 1m9p h HIS 143 CO 0.21 0.19 0.55 1.63 0.71 0.00 0.00 177.93 181.22 1m9p n LYS 144 N -4.48 4.11 0.00 5.26 4.76 -1.26 -4.04 118.16 122.51 1m9p n LYS 144 Ca 0.04 -4.38 0.00 0.00 -2.87 0.00 0.00 58.31 51.10 1m9p n LYS 144 Cb 0.21 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.05 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 -0.27 0.00 1.44 2.13 -0.00 -1.14 -4.12 117.16 115.20 1m9p n TYR 145 Ca 0.45 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.47 1m9p n TYR 145 Cb 0.32 0.00 0.68 0.00 -0.00 0.00 0.00 39.34 40.34 1m9p n TYR 145 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44