#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m9p s LEU 2 N 0.00 4.45 0.56 7.52 1.02 -1.26 -5.08 118.68 125.89 1m9p s LEU 2 Ca 0.00 1.57 -0.07 0.00 0.02 0.00 0.00 54.13 55.65 1m9p s LEU 2 Cb 0.00 -3.37 -0.02 0.00 0.02 0.00 0.00 46.19 42.82 1m9p s LEU 2 CO 0.00 -0.04 0.89 -0.94 0.02 0.00 0.00 176.35 176.29 1m9p s SER 3 N 0.08 6.00 0.59 2.29 1.04 -1.26 -4.87 113.70 117.57 1m9p s SER 3 Ca 0.42 0.99 0.31 0.00 0.48 0.00 0.00 55.95 58.15 1m9p s SER 3 Cb -0.21 -2.11 1.84 0.00 0.10 0.00 0.00 66.02 65.64 1m9p s SER 3 CO 0.25 -0.84 2.24 -0.65 0.98 0.00 0.00 173.24 175.23 1m9p h PRO 4 N -0.08 0.00 0.06 4.02 0.11 -2.00 -0.87 132.00 133.25 1m9p h PRO 4 Ca -0.46 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.40 1m9p h PRO 4 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1m9p h PRO 4 CO 0.62 0.02 -1.23 0.00 -0.21 0.00 0.00 178.00 177.19 1m9p h ALA 5 N 1.98 0.29 -0.02 -0.75 0.00 -2.00 -3.21 119.26 115.55 1m9p h ALA 5 Ca -0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 54.91 53.92 1m9p h ALA 5 Cb 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1m9p h ALA 5 CO 0.00 1.17 -0.00 -0.44 0.00 0.00 0.00 179.25 179.98 1m9p h ASP 6 N 0.04 0.03 -0.70 0.00 3.32 -1.57 -2.36 116.42 115.17 1m9p h ASP 6 Ca -0.11 -0.33 0.06 0.00 0.02 0.00 0.00 57.03 56.67 1m9p h ASP 6 Cb 1.90 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 41.39 1m9p h ASP 6 CO 0.16 0.35 0.40 0.11 -1.72 0.00 0.00 179.24 178.54 1m9p h LYS 7 N -0.29 0.71 0.04 3.56 1.57 -1.34 -2.67 116.57 118.15 1m9p h LYS 7 Ca 0.00 -0.04 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 1m9p h LYS 7 Cb 0.34 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.50 1m9p h LYS 7 CO 0.00 0.47 -1.07 1.79 -0.57 0.00 0.00 179.45 180.08 1m9p h THR 8 N 0.73 1.34 -0.53 -0.16 1.35 -1.58 -2.92 112.91 111.14 1m9p h THR 8 Ca 0.31 -2.43 0.04 0.00 -0.55 0.00 0.00 66.41 63.79 1m9p h THR 8 Cb 0.19 2.51 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 1m9p h THR 8 CO -0.18 0.74 0.35 0.78 -0.25 0.00 0.00 175.52 176.96 1m9p h ASN 9 N 0.28 0.48 0.06 5.36 -0.26 -1.26 -0.96 115.58 119.29 1m9p h ASN 9 Ca -0.12 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1m9p h ASN 9 Cb 1.72 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 38.87 1m9p h ASN 9 CO 0.20 0.33 -0.03 0.58 -1.06 0.00 0.00 177.43 177.44 1m9p h VAL 10 N 0.56 1.27 -0.98 2.81 2.07 -1.51 -2.60 116.25 117.86 1m9p h VAL 10 Ca 0.22 -1.30 0.15 0.00 0.82 0.00 0.00 66.70 66.59 1m9p h VAL 10 Cb 0.18 2.09 -0.09 0.00 -1.52 0.00 0.00 31.29 31.95 1m9p h VAL 10 CO -0.06 0.31 0.61 0.11 0.02 0.00 0.00 177.57 178.57 1m9p h LYS 11 N -0.68 0.81 0.00 1.57 1.57 -1.15 0.29 116.57 118.97 1m9p h LYS 11 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1m9p h LYS 11 Cb 0.58 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1m9p h LYS 11 CO 0.01 0.53 -0.23 0.00 -0.57 0.00 0.00 179.45 179.20 1m9p h ALA 12 N 1.59 0.87 0.04 3.86 0.00 -1.27 -2.28 119.26 122.08 1m9p h ALA 12 Ca 0.51 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 55.08 1m9p h ALA 12 Cb 0.70 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1m9p h ALA 12 CO -0.29 0.00 -2.04 0.00 0.00 0.00 0.00 179.25 176.92 1m9p n ALA 13 N -2.00 1.29 0.20 0.00 0.00 -0.39 -3.63 120.51 115.99 1m9p n ALA 13 Ca 0.04 -0.86 0.11 0.00 0.00 0.00 0.00 53.44 52.72 1m9p n ALA 13 Cb 0.50 -0.56 0.14 0.00 0.00 0.00 0.00 19.45 19.53 1m9p n ALA 13 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1m9p h TRP 14 N 0.02 0.00 -0.34 0.00 2.91 -0.60 -3.13 115.95 114.82 1m9p h TRP 14 Ca -0.42 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.48 1m9p h TRP 14 Cb 2.04 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.69 1m9p h TRP 14 CO 0.03 0.07 -0.23 0.78 -1.03 0.00 0.00 178.44 178.06 1m9p h GLY 15 N 3.93 0.82 2.00 2.65 0.00 -1.55 -2.71 103.07 108.21 1m9p h GLY 15 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1m9p h GLY 15 CO 0.01 0.71 0.00 0.50 0.00 0.00 0.00 176.54 177.76 1m9p h LYS 16 N 0.52 0.00 0.03 4.80 6.56 -1.61 -1.36 116.57 125.51 1m9p h LYS 16 Ca 0.07 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1m9p h LYS 16 Cb 0.79 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 1m9p h LYS 16 CO 0.06 0.00 -0.01 0.28 -2.06 0.00 0.00 179.45 177.72 1m9p h VAL 17 N 0.00 1.44 0.00 0.50 2.07 -1.47 -3.47 116.25 115.32 1m9p h VAL 17 Ca 0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1m9p h VAL 17 Cb 0.29 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1m9p h VAL 17 CO 0.00 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1m9p n GLY 18 N 0.94 0.79 0.18 2.17 0.00 -0.52 -2.09 105.19 106.66 1m9p n GLY 18 Ca -0.09 0.69 0.12 0.00 0.00 0.00 0.00 46.02 46.74 1m9p n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m9p h ALA 19 N -0.49 0.96 -0.02 4.61 0.00 -1.89 -3.29 119.26 119.14 1m9p h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1m9p h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1m9p h ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1m9p n HIS 20 N -2.84 0.02 0.10 0.00 -0.00 -0.89 -4.44 115.22 107.17 1m9p n HIS 20 Ca 0.04 -0.01 -0.15 0.00 -0.00 0.00 0.00 57.72 57.60 1m9p n HIS 20 Cb 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.41 1m9p n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1m9p h ALA 21 N 3.69 -0.88 -0.67 -1.41 0.00 -1.76 -1.65 119.26 116.57 1m9p h ALA 21 Ca 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1m9p h ALA 21 Cb 0.06 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1m9p h ALA 21 CO 0.00 -1.07 0.45 0.78 0.00 0.00 0.00 179.25 179.41 1m9p h GLY 22 N -0.69 0.74 1.25 0.00 0.00 -1.81 0.24 103.07 102.81 1m9p h GLY 22 Ca 0.01 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 1m9p h GLY 22 CO -0.30 0.13 -0.54 -2.09 0.00 0.00 0.00 176.54 173.74 1m9p h GLU 23 N 0.52 0.78 0.06 4.80 4.81 -1.81 -1.87 114.58 121.89 1m9p h GLU 23 Ca 0.31 -0.49 -0.28 0.00 -0.13 0.00 0.00 59.36 58.77 1m9p h GLU 23 Cb 0.51 0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.97 1m9p h GLU 23 CO -0.10 1.12 -1.13 1.88 -0.73 0.00 0.00 179.01 180.05 1m9p h TYR 24 N 0.60 0.92 -0.15 0.92 -1.99 -0.23 -1.56 116.97 115.48 1m9p h TYR 24 Ca 0.01 -0.54 -0.07 0.00 2.00 0.00 0.00 58.73 60.13 1m9p h TYR 24 Cb 1.13 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.76 1m9p h TYR 24 CO 0.06 1.38 -0.21 0.78 -0.00 0.00 0.00 178.16 180.17 1m9p h GLY 25 N 0.60 0.28 0.97 3.88 0.00 -0.60 -1.49 103.07 106.70 1m9p h GLY 25 Ca -0.15 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 46.82 1m9p h GLY 25 CO 0.21 0.18 -0.54 0.00 0.00 0.00 0.00 176.54 176.39 1m9p h ALA 26 N 1.55 0.27 -0.46 3.60 0.00 -1.24 -2.81 119.26 120.17 1m9p h ALA 26 Ca 0.04 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1m9p h ALA 26 Cb 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1m9p h ALA 26 CO 0.03 0.47 0.08 1.49 0.00 0.00 0.00 179.25 181.33 1m9p h GLU 27 N 0.29 0.76 -0.73 0.00 4.81 -1.12 -2.18 114.58 116.40 1m9p h GLU 27 Ca -0.03 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1m9p h GLU 27 Cb 1.17 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 1m9p h GLU 27 CO 0.11 0.77 0.43 0.00 -0.73 0.00 0.00 179.01 179.60 1m9p h ALA 28 N 0.95 0.98 -0.29 2.92 0.00 -1.32 0.12 119.26 122.63 1m9p h ALA 28 Ca 0.14 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1m9p h ALA 28 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1m9p h ALA 28 CO 0.01 0.15 -0.06 -0.07 0.00 0.00 0.00 179.25 179.28 1m9p h LEU 29 N 0.81 0.55 -0.80 0.00 3.38 -1.37 -0.87 115.31 117.01 1m9p h LEU 29 Ca 0.32 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1m9p h LEU 29 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1m9p h LEU 29 CO -0.16 0.78 -0.16 -0.08 0.09 0.00 0.00 178.44 178.91 1m9p h GLU 30 N 0.32 0.73 -0.48 1.13 4.81 -0.98 0.92 114.58 121.03 1m9p h GLU 30 Ca 0.07 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1m9p h GLU 30 Cb 0.53 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1m9p h GLU 30 CO 0.03 0.85 0.16 0.00 -0.73 0.00 0.00 179.01 179.32 1m9p h ARG 31 N 0.65 0.74 -0.53 1.92 3.08 -0.66 -0.87 114.38 118.72 1m9p h ARG 31 Ca 0.10 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1m9p h ARG 31 Cb 0.64 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1m9p h ARG 31 CO 0.04 0.69 0.12 1.98 -1.07 0.00 0.00 179.97 181.73 1m9p h MET 32 N 0.64 0.84 -0.30 0.04 4.05 -0.64 0.24 114.93 119.80 1m9p h MET 32 Ca 0.16 -0.21 -0.11 0.00 -0.28 0.00 0.00 59.70 59.26 1m9p h MET 32 Cb 0.25 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1m9p h MET 32 CO -0.01 0.81 -0.27 0.74 0.23 0.00 0.00 176.91 178.41 1m9p h PHE 33 N 0.74 0.69 0.03 1.39 0.04 -0.62 0.44 116.94 119.66 1m9p h PHE 33 Ca 0.16 -0.16 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1m9p h PHE 33 Cb 0.35 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.34 1m9p h PHE 33 CO 0.02 0.82 -0.23 -0.07 -0.60 0.00 0.00 178.31 178.25 1m9p h LEU 34 N 0.53 0.15 -0.63 1.54 3.38 -1.04 -3.31 115.31 115.94 1m9p h LEU 34 Ca 0.07 -0.94 -0.14 0.00 0.09 0.00 0.00 57.88 56.96 1m9p h LEU 34 Cb 0.74 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1m9p h LEU 34 CO 0.06 1.07 -0.46 0.28 0.09 0.00 0.00 178.44 179.48 1m9p h SER 35 N -0.75 0.59 -3.53 -0.43 0.02 -0.55 -3.37 113.55 105.53 1m9p h SER 35 Ca -0.04 -0.28 -0.61 0.00 -0.84 0.00 0.00 61.79 60.02 1m9p h SER 35 Cb 1.13 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 63.11 1m9p h SER 35 CO 0.04 0.96 -0.73 -0.36 -1.14 0.00 0.00 176.83 175.60 1m9p s PHE 36 N -4.15 2.02 0.55 3.45 0.08 0.14 -5.01 117.98 115.07 1m9p s PHE 36 Ca -0.07 -2.44 0.24 0.00 0.12 0.00 0.00 56.93 54.78 1m9p s PHE 36 Cb 0.12 -1.92 1.50 0.00 -0.57 0.00 0.00 43.02 42.15 1m9p s PHE 36 CO 0.83 -0.78 2.13 -1.35 -0.10 0.00 0.00 175.22 175.94 1m9p h PRO 37 N 6.76 0.00 0.00 0.24 0.11 -1.74 -2.85 132.00 134.52 1m9p h PRO 37 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1m9p h PRO 37 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1m9p h PRO 37 CO 0.49 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.07 1m9p h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.92 -2.48 112.91 108.71 1m9p h THR 38 Ca 0.07 -0.21 -0.02 0.00 -0.55 0.00 0.00 66.41 65.69 1m9p h THR 38 Cb 0.31 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1m9p h THR 38 CO -0.00 0.00 -0.10 0.71 -0.25 0.00 0.00 175.52 175.88 1m9p h THR 39 N 0.00 0.19 -0.06 6.82 1.35 -1.83 -3.20 112.91 116.19 1m9p h THR 39 Ca 0.00 -1.04 -0.04 0.00 -0.55 0.00 0.00 66.41 64.78 1m9p h THR 39 Cb 0.26 1.89 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 1m9p h THR 39 CO 0.00 0.09 -0.15 0.11 -0.25 0.00 0.00 175.52 175.33 1m9p h LYS 40 N 0.00 0.09 0.00 4.72 1.57 -1.64 -3.07 116.57 118.24 1m9p h LYS 40 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1m9p h LYS 40 Cb 0.88 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1m9p h LYS 40 CO 0.01 0.24 0.00 1.79 -0.57 0.00 0.00 179.45 180.92 1m9p h THR 41 N 0.08 0.00 0.00 -0.16 1.35 -1.74 -0.97 112.91 111.47 1m9p h THR 41 Ca 0.02 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1m9p h THR 41 Cb 0.31 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1m9p h THR 41 CO 0.02 0.00 -0.20 1.88 -0.25 0.00 0.00 175.52 176.97 1m9p h TYR 42 N 0.00 0.00 -2.59 4.73 0.05 -1.78 -3.37 116.97 114.02 1m9p h TYR 42 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.18 1m9p h TYR 42 Cb 0.07 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 37.40 1m9p h TYR 42 CO 0.00 0.00 -0.66 1.19 -1.05 0.00 0.00 178.16 177.64 1m9p n PHE 43 N -2.54 2.75 0.38 4.88 3.01 -0.37 -4.90 117.46 120.66 1m9p n PHE 43 Ca 0.04 -4.10 0.12 0.00 1.01 0.00 0.00 57.45 54.52 1m9p n PHE 43 Cb 0.47 -0.50 0.13 0.00 -0.01 0.00 0.00 39.48 39.58 1m9p n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1m9p h PRO 44 N 4.83 0.00 -0.54 -1.08 0.13 -1.74 -3.27 132.00 130.32 1m9p h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1m9p h PRO 44 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1m9p h PRO 44 CO 0.71 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.09 1m9p n HIS 45 N -2.43 0.72 -3.89 1.56 1.44 -1.26 -4.95 115.22 106.41 1m9p n HIS 45 Ca 0.02 -0.36 -0.33 0.00 -2.01 0.00 0.00 57.72 55.04 1m9p n HIS 45 Cb 0.49 -0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.55 1m9p n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1m9p s PHE 46 N -1.29 3.55 -0.96 -1.40 0.40 -1.24 -5.06 117.98 111.99 1m9p s PHE 46 Ca 0.36 0.36 -0.22 0.00 -0.60 0.00 0.00 56.93 56.84 1m9p s PHE 46 Cb 0.19 -1.83 0.08 0.00 0.51 0.00 0.00 43.02 41.96 1m9p s PHE 46 CO 0.24 0.64 1.30 0.34 0.70 0.00 0.00 175.22 178.44 1m9p s ASP 47 N -1.99 6.52 -0.13 1.36 3.68 -1.26 -4.91 116.67 119.94 1m9p s ASP 47 Ca 0.28 -1.61 0.13 0.00 2.13 0.00 0.00 52.55 53.48 1m9p s ASP 47 Cb -0.13 -2.50 0.60 0.00 -1.45 0.00 0.00 42.92 39.44 1m9p s ASP 47 CO 0.20 -1.35 1.45 0.18 0.13 0.00 0.00 175.17 175.78 1m9p n LEU 48 N 7.97 4.20 -4.91 -1.34 4.77 -1.26 -4.55 117.00 121.88 1m9p n LEU 48 Ca 0.26 -2.13 -0.27 0.00 -0.03 0.00 0.00 56.01 53.85 1m9p n LEU 48 Cb 0.50 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1m9p n LEU 48 CO 0.60 0.61 0.57 -0.44 -1.33 0.00 0.00 177.39 177.40 1m9p s SER 49 N -0.71 5.51 0.30 -1.43 0.01 -1.26 -5.00 113.70 111.12 1m9p s SER 49 Ca 0.41 0.74 -0.29 0.00 1.31 0.00 0.00 55.95 58.12 1m9p s SER 49 Cb 0.29 -1.68 -0.11 0.00 0.21 0.00 0.00 66.02 64.73 1m9p s SER 49 CO 0.16 -1.14 1.47 -2.28 0.41 0.00 0.00 173.24 171.86 1m9p s HIS 50 N -3.06 2.85 -0.19 2.43 2.46 -1.26 -2.45 115.29 116.07 1m9p s HIS 50 Ca 0.55 1.06 0.00 0.00 0.47 0.00 0.00 55.06 57.14 1m9p s HIS 50 Cb -0.11 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.43 1m9p s HIS 50 CO 0.46 -2.85 0.00 0.41 -2.47 0.00 0.00 174.74 170.29 1m9p n GLY 51 N 1.54 0.48 3.76 1.59 0.00 -1.26 -5.01 105.19 106.29 1m9p n GLY 51 Ca 0.05 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 1m9p n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m9p s SER 52 N -2.97 5.88 0.16 1.61 1.04 -1.03 -4.93 113.70 113.47 1m9p s SER 52 Ca 0.00 2.54 0.03 0.00 0.48 0.00 0.00 55.95 59.00 1m9p s SER 52 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.46 1m9p s SER 52 CO 0.00 -1.13 1.36 0.00 0.98 0.00 0.00 173.24 174.45 1m9p h ALA 53 N 1.97 0.49 0.12 5.32 0.00 -1.92 -2.56 119.26 122.68 1m9p h ALA 53 Ca -0.50 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 53.65 1m9p h ALA 53 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1m9p h ALA 53 CO 0.60 0.96 -0.06 1.96 0.00 0.00 0.00 179.25 182.71 1m9p h GLN 54 N 0.09 -0.15 0.00 0.00 4.20 -1.91 0.72 115.11 118.05 1m9p h GLN 54 Ca -0.04 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1m9p h GLN 54 Cb 1.55 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.36 1m9p h GLN 54 CO 0.14 0.12 -0.07 0.28 -0.67 0.00 0.00 178.83 178.62 1m9p h VAL 55 N -0.42 0.16 0.00 -0.54 2.07 -1.81 0.46 116.25 116.17 1m9p h VAL 55 Ca -0.02 -0.90 -0.17 0.00 0.82 0.00 0.00 66.70 66.43 1m9p h VAL 55 Cb 0.34 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1m9p h VAL 55 CO 0.03 0.07 -0.82 0.11 0.02 0.00 0.00 177.57 176.97 1m9p h LYS 56 N 0.00 0.00 0.08 1.57 6.56 -1.34 -0.12 116.57 123.32 1m9p h LYS 56 Ca -0.00 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.30 1m9p h LYS 56 Cb 0.78 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.42 1m9p h LYS 56 CO 0.01 0.82 -1.49 0.78 -2.06 0.00 0.00 179.45 177.51 1m9p h GLY 57 N 2.73 0.20 1.14 3.86 0.00 -0.13 -3.21 103.07 107.66 1m9p h GLY 57 Ca -0.01 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.63 1m9p h GLY 57 CO 0.11 0.45 -0.54 0.84 0.00 0.00 0.00 176.54 177.40 1m9p h HIS 58 N 0.05 1.10 -0.29 5.60 6.17 -0.05 -2.98 115.15 124.75 1m9p h HIS 58 Ca -0.22 -0.39 0.03 0.00 0.71 0.00 0.00 60.37 60.50 1m9p h HIS 58 Cb 1.98 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 31.69 1m9p h HIS 58 CO 0.04 1.22 0.19 0.78 0.71 0.00 0.00 177.93 180.88 1m9p h GLY 59 N 0.67 0.30 1.00 5.26 0.00 -1.11 0.22 103.07 109.41 1m9p h GLY 59 Ca 0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 1m9p h GLY 59 CO 0.12 0.09 -0.46 1.70 0.00 0.00 0.00 176.54 177.99 1m9p h LYS 60 N 0.27 0.69 -0.50 4.80 1.63 -1.54 -0.90 116.57 121.02 1m9p h LYS 60 Ca 0.12 -0.46 -0.06 0.00 -0.85 0.00 0.00 60.65 59.40 1m9p h LYS 60 Cb 0.14 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1m9p h LYS 60 CO -0.02 1.08 0.09 0.87 -3.45 0.00 0.00 179.45 178.01 1m9p h LYS 61 N 0.40 0.82 -0.20 1.90 1.57 -1.01 0.12 116.57 120.17 1m9p h LYS 61 Ca 0.00 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1m9p h LYS 61 Cb 1.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1m9p h LYS 61 CO 0.10 0.81 0.02 0.28 -0.57 0.00 0.00 179.45 180.10 1m9p h VAL 62 N 0.70 1.23 -0.25 0.50 2.07 -0.62 -1.46 116.25 118.42 1m9p h VAL 62 Ca 0.15 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 1m9p h VAL 62 Cb 0.39 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1m9p h VAL 62 CO 0.01 0.24 -0.16 0.00 0.02 0.00 0.00 177.57 177.68 1m9p h ALA 63 N 0.82 1.26 -0.04 1.67 0.00 -1.00 -1.92 119.26 120.05 1m9p h ALA 63 Ca 0.06 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1m9p h ALA 63 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1m9p h ALA 63 CO 0.01 0.49 -0.71 -0.44 0.00 0.00 0.00 179.25 178.59 1m9p h ASP 64 N 0.40 0.25 -0.41 0.00 3.32 -0.65 -1.09 116.42 118.22 1m9p h ASP 64 Ca 0.07 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.81 1m9p h ASP 64 Cb 0.52 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1m9p h ASP 64 CO 0.03 0.87 -0.32 0.00 -1.72 0.00 0.00 179.24 178.11 1m9p h ALA 65 N 1.12 0.59 0.00 3.45 0.00 -0.87 -0.98 119.26 122.58 1m9p h ALA 65 Ca -0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1m9p h ALA 65 Cb 1.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1m9p h ALA 65 CO 0.11 0.65 -0.53 -0.07 0.00 0.00 0.00 179.25 179.41 1m9p h LEU 66 N 0.77 0.00 -0.72 0.00 3.38 -1.26 -1.58 115.31 115.89 1m9p h LEU 66 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1m9p h LEU 66 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1m9p h LEU 66 CO 0.08 0.53 -0.60 0.74 0.09 0.00 0.00 178.44 179.29 1m9p h THR 67 N 0.00 1.40 -0.20 0.22 2.02 -0.86 -2.21 112.91 113.28 1m9p h THR 67 Ca -0.01 -1.99 -0.14 0.00 0.77 0.00 0.00 66.41 65.04 1m9p h THR 67 Cb 0.98 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 1m9p h THR 67 CO 0.07 0.58 -0.47 -1.13 0.37 0.00 0.00 175.52 174.94 1m9p h ASN 68 N 0.11 0.56 1.37 4.18 -1.24 -0.58 -1.84 115.58 118.14 1m9p h ASN 68 Ca -0.01 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.73 1m9p h ASN 68 Cb 1.08 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.97 1m9p h ASN 68 CO 0.09 0.95 0.00 0.00 -1.29 0.00 0.00 177.43 177.17 1m9p h ALA 69 N 1.07 1.00 0.16 1.57 0.00 -1.02 0.13 119.26 122.17 1m9p h ALA 69 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 1m9p h ALA 69 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1m9p h ALA 69 CO 0.09 0.00 -1.58 0.28 0.00 0.00 0.00 179.25 178.04 1m9p h VAL 70 N 0.00 1.12 0.09 0.00 2.07 -1.11 -3.02 116.25 115.40 1m9p h VAL 70 Ca 0.00 -2.71 -0.00 0.00 0.82 0.00 0.00 66.70 64.80 1m9p h VAL 70 Cb 0.68 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1m9p h VAL 70 CO 0.00 0.83 -0.04 0.00 0.02 0.00 0.00 177.57 178.38 1m9p h ALA 71 N 0.34 -0.12 -1.59 1.67 0.00 -1.03 -3.27 119.26 115.26 1m9p h ALA 71 Ca -0.27 -0.13 -0.72 0.00 0.00 0.00 0.00 54.91 53.79 1m9p h ALA 71 Cb 2.06 0.05 -0.33 0.00 0.00 0.00 0.00 17.79 19.57 1m9p h ALA 71 CO 0.18 -0.45 0.35 0.72 0.00 0.00 0.00 179.25 180.05 1m9p n HIS 72 N -5.03 3.27 0.15 0.00 8.25 0.01 -4.83 115.22 117.04 1m9p n HIS 72 Ca -0.08 -3.05 0.01 0.00 -0.26 0.00 0.00 57.72 54.33 1m9p n HIS 72 Cb 0.17 -0.88 0.22 0.00 1.12 0.00 0.00 29.99 30.62 1m9p n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1m9p h VAL 73 N 2.47 1.27 -0.02 1.59 3.04 -1.58 -2.72 116.25 120.29 1m9p h VAL 73 Ca 0.39 -1.95 0.00 0.00 -1.01 0.00 0.00 66.70 64.13 1m9p h VAL 73 Cb 0.39 2.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1m9p h VAL 73 CO 1.06 0.53 0.00 0.47 -1.01 0.00 0.00 177.57 178.63 1m9p n ASP 74 N -3.72 0.75 -2.77 3.17 8.00 -1.26 -4.10 116.55 116.63 1m9p n ASP 74 Ca -0.01 -1.30 -0.09 0.00 0.71 0.00 0.00 54.79 54.10 1m9p n ASP 74 Cb 0.59 -0.01 0.08 0.00 -0.02 0.00 0.00 41.12 41.75 1m9p n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1m9p n ASP 75 N -0.39 -1.30 0.00 -2.24 2.03 -1.14 -5.00 116.55 108.51 1m9p n ASP 75 Ca 0.21 -3.04 -0.01 0.00 0.52 0.00 0.00 54.79 52.47 1m9p n ASP 75 Cb 0.23 0.96 0.28 0.00 -0.72 0.00 0.00 41.12 41.87 1m9p n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1m9p h MET 76 N 2.64 0.51 -0.50 -0.67 2.86 -1.64 -2.74 114.93 115.40 1m9p h MET 76 Ca -0.14 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.33 1m9p h MET 76 Cb 1.16 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1m9p h MET 76 CO 0.15 0.57 0.08 -1.35 1.06 0.00 0.00 176.91 177.43 1m9p h PRO 77 N 0.49 0.77 -0.44 -0.22 0.11 -1.95 -0.71 132.00 130.06 1m9p h PRO 77 Ca 0.10 -0.17 -0.13 0.00 0.11 0.00 0.00 66.00 65.91 1m9p h PRO 77 Cb 0.38 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1m9p h PRO 77 CO 0.02 0.73 -0.25 -0.91 -0.21 0.00 0.00 178.00 177.38 1m9p h ASN 78 N 0.74 0.96 -0.06 -2.05 4.21 -1.93 -3.15 115.58 114.30 1m9p h ASN 78 Ca 0.16 -0.37 -0.07 0.00 1.21 0.00 0.00 56.30 57.23 1m9p h ASN 78 Cb 0.33 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1m9p h ASN 78 CO 0.00 1.15 -0.24 0.00 -1.29 0.00 0.00 177.43 177.05 1m9p h ALA 79 N 0.91 0.11 -0.52 -0.83 0.00 -1.24 -3.34 119.26 114.35 1m9p h ALA 79 Ca 0.10 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1m9p h ALA 79 Cb 0.81 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1m9p h ALA 79 CO 0.07 0.10 0.22 1.28 0.00 0.00 0.00 179.25 180.92 1m9p n LEU 80 N -4.51 4.83 0.08 0.00 4.77 -0.29 -4.68 117.00 117.20 1m9p n LEU 80 Ca -0.08 -2.51 -0.03 0.00 -0.03 0.00 0.00 56.01 53.36 1m9p n LEU 80 Cb 0.45 -0.68 0.19 0.00 -2.33 0.00 0.00 43.42 41.06 1m9p n LEU 80 CO 0.40 0.68 0.61 0.77 -1.33 0.00 0.00 177.39 178.52 1m9p h SER 81 N 1.66 0.28 0.74 -1.43 4.64 -1.67 -1.64 113.55 116.13 1m9p h SER 81 Ca 0.21 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.31 1m9p h SER 81 Cb 1.87 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.87 1m9p h SER 81 CO 0.53 0.70 -0.45 0.00 -0.87 0.00 0.00 176.83 176.74 1m9p h ALA 82 N 1.32 1.02 0.00 5.18 0.00 -1.91 -2.68 119.26 122.18 1m9p h ALA 82 Ca 0.02 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 1m9p h ALA 82 Cb 0.88 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1m9p h ALA 82 CO 0.07 0.56 -0.75 -0.07 0.00 0.00 0.00 179.25 179.06 1m9p h LEU 83 N 0.00 0.00 -0.03 0.00 3.38 -1.79 -2.75 115.31 114.12 1m9p h LEU 83 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1m9p h LEU 83 Cb 0.94 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.70 1m9p h LEU 83 CO 0.06 0.75 -1.07 0.28 0.09 0.00 0.00 178.44 178.55 1m9p h SER 84 N 0.00 0.73 -0.42 -0.43 0.02 -1.17 -1.31 113.55 110.97 1m9p h SER 84 Ca -0.01 -0.62 0.05 0.00 -0.84 0.00 0.00 61.79 60.37 1m9p h SER 84 Cb 1.37 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1m9p h SER 84 CO 0.10 1.43 0.16 -0.78 -1.14 0.00 0.00 176.83 176.60 1m9p h ASP 85 N 0.28 0.18 0.62 3.07 -0.00 -1.49 0.15 116.42 119.23 1m9p h ASP 85 Ca -0.13 0.04 -0.03 0.00 -0.00 0.00 0.00 57.03 56.92 1m9p h ASP 85 Cb 1.73 0.02 0.01 0.00 -0.00 0.00 0.00 39.33 41.08 1m9p h ASP 85 CO 0.20 0.14 -0.30 0.25 -0.00 0.00 0.00 179.24 179.53 1m9p h LEU 86 N 0.33 -0.70 -0.74 2.28 6.46 -1.44 -1.22 115.31 120.28 1m9p h LEU 86 Ca 0.19 0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.85 1m9p h LEU 86 Cb 0.17 0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1m9p h LEU 86 CO -0.19 -0.50 -0.61 0.45 -0.62 0.00 0.00 178.44 176.97 1m9p h HIS 87 N -0.83 0.00 0.00 1.25 3.86 -1.19 0.50 115.15 118.74 1m9p h HIS 87 Ca -0.08 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.94 1m9p h HIS 87 Cb 0.64 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 1m9p h HIS 87 CO 0.09 0.61 -1.17 0.00 0.86 0.00 0.00 177.93 178.33 1m9p n ALA 88 N -2.41 0.73 -0.09 2.45 0.00 0.51 -1.15 120.51 120.56 1m9p n ALA 88 Ca -0.01 -0.53 -0.17 0.00 0.00 0.00 0.00 53.44 52.72 1m9p n ALA 88 Cb 0.62 -0.32 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 1m9p n ALA 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1m9p h HIS 89 N -1.00 0.00 0.39 0.00 -0.00 -1.39 -3.26 115.15 109.89 1m9p h HIS 89 Ca -0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.07 1m9p h HIS 89 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 1m9p h HIS 89 CO -0.02 1.18 -0.19 0.87 -0.00 0.00 0.00 177.93 179.77 1m9p h LYS 90 N -1.00 -0.50 0.00 5.26 1.57 -1.13 -3.37 116.57 117.40 1m9p h LYS 90 Ca -0.21 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1m9p h LYS 90 Cb 1.10 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1m9p h LYS 90 CO -0.13 -0.24 -0.66 -0.07 -0.57 0.00 0.00 179.45 177.79 1m9p h LEU 91 N -1.06 0.00 -1.32 2.94 3.38 -0.17 -3.49 115.31 115.59 1m9p h LEU 91 Ca -0.05 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.45 1m9p h LEU 91 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1m9p h LEU 91 CO 0.09 0.29 -0.80 0.54 0.09 0.00 0.00 178.44 178.65 1m9p n ARG 92 N -3.02 -4.92 -2.01 1.13 3.00 -0.96 -4.91 116.66 104.98 1m9p n ARG 92 Ca -0.00 0.56 -0.42 0.00 -0.01 0.00 0.00 57.85 57.98 1m9p n ARG 92 Cb 0.67 -5.26 -0.03 0.00 0.00 0.00 0.00 32.46 27.84 1m9p n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1m9p s VAL 93 N -3.48 2.82 0.09 1.55 1.01 -0.30 -4.99 120.40 117.10 1m9p s VAL 93 Ca 0.41 0.60 -0.31 0.00 0.00 0.00 0.00 61.98 62.68 1m9p s VAL 93 Cb -0.21 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1m9p s VAL 93 CO 0.84 0.05 1.36 -0.62 0.00 0.00 0.00 175.10 176.73 1m9p s ASP 94 N 1.00 6.88 0.19 3.32 -1.08 -1.26 -4.91 116.67 120.81 1m9p s ASP 94 Ca 0.67 2.24 0.14 0.00 -0.52 0.00 0.00 52.55 55.07 1m9p s ASP 94 Cb -0.41 -2.58 0.73 0.00 -1.46 0.00 0.00 42.92 39.20 1m9p s ASP 94 CO 0.33 -0.63 1.43 -0.81 0.52 0.00 0.00 175.17 176.01 1m9p n PRO 95 N 4.15 0.09 0.08 4.34 -0.04 -1.26 -1.42 135.00 140.94 1m9p n PRO 95 Ca 0.11 0.56 -0.01 0.00 -0.04 0.00 0.00 63.50 64.13 1m9p n PRO 95 Cb 0.43 -1.78 0.27 0.00 -0.04 0.00 0.00 33.50 32.38 1m9p n PRO 95 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1m9p h VAL 96 N 0.00 1.26 0.00 0.52 3.04 -2.01 -2.24 116.25 116.83 1m9p h VAL 96 Ca 0.00 -1.24 -0.05 0.00 -1.01 0.00 0.00 66.70 64.40 1m9p h VAL 96 Cb 0.03 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 1m9p h VAL 96 CO 0.00 0.38 -0.24 0.78 -1.01 0.00 0.00 177.57 177.47 1m9p h ASN 97 N 0.26 0.00 0.64 3.17 4.21 -1.63 -2.06 115.58 120.18 1m9p h ASN 97 Ca 0.04 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.37 1m9p h ASN 97 Cb 0.64 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.83 1m9p h ASN 97 CO 0.05 0.24 -0.81 -0.26 -1.29 0.00 0.00 177.43 175.36 1m9p h PHE 98 N 0.00 0.17 -0.31 1.19 -1.00 -1.51 -1.67 116.94 113.81 1m9p h PHE 98 Ca -0.00 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.58 1m9p h PHE 98 Cb 0.75 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.28 1m9p h PHE 98 CO 0.00 0.87 -0.26 0.87 -1.61 0.00 0.00 178.31 178.18 1m9p h LYS 99 N 0.07 0.63 0.11 1.51 1.57 -1.14 -1.96 116.57 117.36 1m9p h LYS 99 Ca -0.03 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1m9p h LYS 99 Cb 1.41 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1m9p h LYS 99 CO 0.12 0.83 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.71 1m9p h LEU 100 N 0.55 -0.12 -1.13 2.94 3.38 -1.18 -0.43 115.31 119.31 1m9p h LEU 100 Ca 0.07 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1m9p h LEU 100 Cb 0.74 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1m9p h LEU 100 CO 0.06 0.26 -0.13 0.25 0.09 0.00 0.00 178.44 178.97 1m9p h LEU 101 N -0.53 0.44 -0.87 1.67 5.85 -1.36 -1.44 115.31 119.08 1m9p h LEU 101 Ca -0.01 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 1m9p h LEU 101 Cb 0.43 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1m9p h LEU 101 CO 0.02 0.60 -0.29 0.28 -0.34 0.00 0.00 178.44 178.71 1m9p h SER 102 N 0.42 0.51 -0.17 1.25 0.02 -1.26 0.31 113.55 114.63 1m9p h SER 102 Ca 0.08 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1m9p h SER 102 Cb 0.48 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1m9p h SER 102 CO 0.03 0.78 -0.15 -0.74 -1.14 0.00 0.00 176.83 175.61 1m9p h HIS 103 N 0.44 0.48 0.00 3.45 -0.00 -0.46 -2.42 115.15 116.64 1m9p h HIS 103 Ca 0.06 -0.14 -0.06 0.00 -0.00 0.00 0.00 60.37 60.23 1m9p h HIS 103 Cb 0.73 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 1m9p h HIS 103 CO 0.03 0.77 -0.28 0.00 -0.00 0.00 0.00 177.93 178.44 1m9p h LEU 105 N 0.00 0.21 -0.09 0.00 5.85 -0.85 -1.28 115.31 119.15 1m9p h LEU 105 Ca -0.00 -0.14 -0.25 0.00 0.84 0.00 0.00 57.88 58.33 1m9p h LEU 105 Cb 0.59 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.57 1m9p h LEU 105 CO 0.04 0.87 -1.00 -0.07 -0.34 0.00 0.00 178.44 177.94 1m9p h LEU 106 N 0.11 0.68 -0.33 2.25 3.38 -0.90 -2.29 115.31 118.22 1m9p h LEU 106 Ca -0.02 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 1m9p h LEU 106 Cb 1.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1m9p h LEU 106 CO 0.11 1.36 0.15 0.58 0.09 0.00 0.00 178.44 180.73 1m9p h VAL 107 N 0.29 1.17 -0.06 1.22 2.07 -1.17 1.00 116.25 120.76 1m9p h VAL 107 Ca -0.10 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1m9p h VAL 107 Cb 1.65 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1m9p h VAL 107 CO 0.18 0.18 -0.02 0.74 0.02 0.00 0.00 177.57 178.67 1m9p h THR 108 N 0.40 0.92 -0.63 2.57 2.02 -1.27 0.12 112.91 117.04 1m9p h THR 108 Ca 0.11 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1m9p h THR 108 Cb 0.14 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1m9p h THR 108 CO -0.01 0.00 0.37 -0.07 0.37 0.00 0.00 175.52 176.18 1m9p h LEU 109 N -0.01 0.75 -0.77 2.58 4.07 -1.18 -0.94 115.31 119.81 1m9p h LEU 109 Ca 0.03 -0.04 -0.13 0.00 0.08 0.00 0.00 57.88 57.82 1m9p h LEU 109 Cb 0.06 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1m9p h LEU 109 CO -0.07 0.59 -0.60 0.00 -1.08 0.00 0.00 178.44 177.28 1m9p h ALA 110 N 1.54 0.98 0.03 1.53 0.00 -0.20 -1.02 119.26 122.11 1m9p h ALA 110 Ca 0.23 -0.55 -0.25 0.00 0.00 0.00 0.00 54.91 54.34 1m9p h ALA 110 Cb -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1m9p h ALA 110 CO -0.04 0.75 -1.03 0.00 0.00 0.00 0.00 179.25 178.93 1m9p h ALA 111 N 1.36 0.25 0.04 0.00 0.00 0.26 -3.38 119.26 117.79 1m9p h ALA 111 Ca -0.01 -0.73 -0.36 0.00 0.00 0.00 0.00 54.91 53.81 1m9p h ALA 111 Cb 1.07 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1m9p h ALA 111 CO 0.08 0.79 -2.15 0.72 0.00 0.00 0.00 179.25 178.69 1m9p n HIS 112 N -3.75 0.62 -3.46 0.00 -0.00 -0.46 -4.72 115.22 103.45 1m9p n HIS 112 Ca -0.08 0.16 -0.27 0.00 -0.00 0.00 0.00 57.72 57.53 1m9p n HIS 112 Cb 0.88 -1.09 -0.09 0.00 -0.00 0.00 0.00 29.99 29.69 1m9p n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1m9p n LEU 113 N -3.19 2.80 0.20 2.41 4.77 -0.39 -4.96 117.00 118.63 1m9p n LEU 113 Ca -0.33 -5.22 0.07 0.00 -0.03 0.00 0.00 56.01 50.50 1m9p n LEU 113 Cb 1.05 -0.39 0.58 0.00 -2.33 0.00 0.00 43.42 42.33 1m9p n LEU 113 CO 0.39 2.00 1.07 -0.65 -1.33 0.00 0.00 177.39 178.87 1m9p h PRO 114 N 4.43 0.12 -0.00 3.23 0.11 -1.77 -1.39 132.00 136.72 1m9p h PRO 114 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1m9p h PRO 114 Cb 0.73 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1m9p h PRO 114 CO 0.73 0.10 -0.19 0.00 -0.21 0.00 0.00 178.00 178.43 1m9p n ALA 115 N -2.52 2.85 -0.05 -0.75 0.00 -1.26 -3.54 120.51 115.23 1m9p n ALA 115 Ca -0.02 -0.23 0.02 0.00 0.00 0.00 0.00 53.44 53.21 1m9p n ALA 115 Cb 0.10 -1.32 -0.17 0.00 0.00 0.00 0.00 19.45 18.07 1m9p n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1m9p n GLU 116 N -1.31 0.67 -1.76 0.00 -0.58 -0.57 -4.66 120.64 112.44 1m9p n GLU 116 Ca 0.09 -0.12 -0.40 0.00 -0.42 0.00 0.00 57.16 56.31 1m9p n GLU 116 Cb 0.32 -1.52 -0.01 0.00 -0.57 0.00 0.00 31.44 29.66 1m9p n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1m9p n PHE 117 N -2.47 2.75 -2.44 -0.32 7.35 -0.91 -4.71 117.46 116.71 1m9p n PHE 117 Ca -0.17 -2.94 -0.33 0.00 -0.76 0.00 0.00 57.45 53.25 1m9p n PHE 117 Cb 0.83 -2.22 -0.03 0.00 0.35 0.00 0.00 39.48 38.41 1m9p n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1m9p s THR 118 N 1.07 3.99 0.43 -2.13 -4.23 -1.26 -4.81 115.64 108.69 1m9p s THR 118 Ca 0.56 1.12 0.18 0.00 -1.18 0.00 0.00 61.69 62.37 1m9p s THR 118 Cb 0.16 -3.49 0.38 0.00 1.34 0.00 0.00 72.50 70.89 1m9p s THR 118 CO -0.06 -0.38 1.87 -0.65 -0.54 0.00 0.00 174.62 174.86 1m9p h PRO 119 N 1.24 0.37 -0.30 3.99 0.11 -1.99 0.18 132.00 135.60 1m9p h PRO 119 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1m9p h PRO 119 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1m9p h PRO 119 CO 0.59 0.24 0.02 0.00 -0.21 0.00 0.00 178.00 178.65 1m9p h ALA 120 N 1.62 0.40 0.00 -0.75 0.00 -1.96 0.14 119.26 118.71 1m9p h ALA 120 Ca 0.44 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1m9p h ALA 120 Cb 1.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1m9p h ALA 120 CO -0.15 0.12 -0.63 0.28 0.00 0.00 0.00 179.25 178.87 1m9p h VAL 121 N 0.32 1.45 -0.25 0.00 2.07 -1.22 -2.24 116.25 116.38 1m9p h VAL 121 Ca 0.09 -2.16 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 1m9p h VAL 121 Cb 0.39 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1m9p h VAL 121 CO 0.01 0.62 -0.01 -0.74 0.02 0.00 0.00 177.57 177.46 1m9p h HIS 122 N 0.00 0.50 0.03 1.57 6.17 -0.50 -1.86 115.15 121.05 1m9p h HIS 122 Ca -0.01 -0.09 0.03 0.00 0.71 0.00 0.00 60.37 61.01 1m9p h HIS 122 Cb 1.12 -0.13 -0.04 0.00 2.52 0.00 0.00 27.41 30.88 1m9p h HIS 122 CO 0.00 0.63 -0.21 0.00 0.71 0.00 0.00 177.93 179.06 1m9p h ALA 123 N 0.80 -0.28 -0.69 5.26 0.00 -0.67 -1.76 119.26 121.92 1m9p h ALA 123 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1m9p h ALA 123 Cb 0.44 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1m9p h ALA 123 CO 0.02 -0.71 0.35 0.77 0.00 0.00 0.00 179.25 179.68 1m9p h SER 124 N -0.35 0.87 -0.31 0.00 0.02 -1.39 -2.11 113.55 110.28 1m9p h SER 124 Ca 0.05 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.75 1m9p h SER 124 Cb 0.41 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1m9p h SER 124 CO -0.17 0.72 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.68 1m9p h LEU 125 N 0.97 0.98 -0.26 5.07 3.38 -1.11 -0.49 115.31 123.85 1m9p h LEU 125 Ca 0.24 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1m9p h LEU 125 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1m9p h LEU 125 CO -0.04 1.29 0.15 -0.78 0.09 0.00 0.00 178.44 179.15 1m9p h ASP 126 N 0.70 0.32 -0.25 -0.43 3.58 -1.03 0.65 116.42 119.96 1m9p h ASP 126 Ca 0.03 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1m9p h ASP 126 Cb 1.09 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 1m9p h ASP 126 CO 0.11 0.30 0.17 0.11 -2.88 0.00 0.00 179.24 177.05 1m9p h LYS 127 N 0.31 0.34 -0.67 0.28 1.57 -1.37 -0.44 116.57 116.59 1m9p h LYS 127 Ca 0.09 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1m9p h LYS 127 Cb 0.05 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1m9p h LYS 127 CO -0.02 0.23 0.43 0.35 -0.57 0.00 0.00 179.45 179.88 1m9p h PHE 128 N 0.34 0.82 0.00 -1.35 3.57 -0.75 -1.91 116.94 117.66 1m9p h PHE 128 Ca 0.09 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1m9p h PHE 128 Cb -0.03 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 1m9p h PHE 128 CO -0.06 0.50 -0.53 -0.07 -2.23 0.00 0.00 178.31 175.92 1m9p h LEU 129 N 0.88 0.00 -0.88 0.59 3.38 -0.56 -2.29 115.31 116.43 1m9p h LEU 129 Ca 0.25 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 1m9p h LEU 129 Cb -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1m9p h LEU 129 CO -0.07 0.53 -0.55 0.00 0.09 0.00 0.00 178.44 178.44 1m9p h ALA 130 N 1.47 1.07 0.05 1.53 0.00 -0.61 -1.96 119.26 120.81 1m9p h ALA 130 Ca -0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.19 1m9p h ALA 130 Cb 1.00 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.72 1m9p h ALA 130 CO 0.07 0.69 -0.86 0.77 0.00 0.00 0.00 179.25 179.92 1m9p h SER 131 N 0.00 0.67 0.10 0.00 0.02 -1.08 -2.41 113.55 110.85 1m9p h SER 131 Ca -0.01 -0.80 -0.09 0.00 -0.84 0.00 0.00 61.79 60.05 1m9p h SER 131 Cb 0.99 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1m9p h SER 131 CO 0.07 1.39 -0.30 -0.37 -1.14 0.00 0.00 176.83 176.49 1m9p h VAL 132 N 0.02 1.27 -0.69 2.27 -1.51 -1.35 -2.28 116.25 113.98 1m9p h VAL 132 Ca -0.12 -1.27 -0.07 0.00 -1.23 0.00 0.00 66.70 64.01 1m9p h VAL 132 Cb 1.57 1.48 -0.03 0.00 -2.13 0.00 0.00 31.29 32.18 1m9p h VAL 132 CO 0.17 0.39 0.16 0.28 -1.23 0.00 0.00 177.57 177.33 1m9p h SER 133 N 0.27 1.05 0.45 4.19 0.02 -1.38 -0.28 113.55 117.86 1m9p h SER 133 Ca 0.04 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1m9p h SER 133 Cb 0.67 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1m9p h SER 133 CO 0.05 1.02 -0.21 0.74 -1.14 0.00 0.00 176.83 177.28 1m9p h THR 134 N 1.03 0.55 0.02 -2.27 2.02 -1.00 -1.54 112.91 111.72 1m9p h THR 134 Ca 0.21 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1m9p h THR 134 Cb 0.38 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 1m9p h THR 134 CO 0.00 0.04 -0.32 0.58 0.37 0.00 0.00 175.52 176.20 1m9p h VAL 135 N -0.74 0.31 0.00 3.16 2.07 -1.33 0.22 116.25 119.94 1m9p h VAL 135 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1m9p h VAL 135 Cb 0.53 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1m9p h VAL 135 CO 0.10 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.58 1m9p h LEU 136 N -0.48 0.00 0.00 2.57 3.38 -1.02 -1.44 115.31 118.32 1m9p h LEU 136 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1m9p h LEU 136 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1m9p h LEU 136 CO -0.25 0.04 -1.41 0.35 0.09 0.00 0.00 178.44 177.26 1m9p n THR 137 N -3.33 0.10 -3.61 0.22 -2.24 -0.58 -3.19 114.28 101.65 1m9p n THR 137 Ca -0.02 -0.32 -0.38 0.00 -2.27 0.00 0.00 64.05 61.07 1m9p n THR 137 Cb 0.17 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1m9p n THR 137 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1m9p s SER 138 N -4.09 6.69 -0.47 3.42 1.04 0.70 -4.73 113.70 116.26 1m9p s SER 138 Ca -0.00 0.82 -0.18 0.00 0.48 0.00 0.00 55.95 57.06 1m9p s SER 138 Cb 0.14 -2.20 0.04 0.00 0.10 0.00 0.00 66.02 64.11 1m9p s SER 138 CO 0.86 0.35 0.54 -0.54 0.98 0.00 0.00 173.24 175.43 1m9p s LYS 139 N -1.06 3.11 -0.12 4.02 1.02 -1.26 -4.86 119.74 120.58 1m9p s LYS 139 Ca 0.21 -0.85 0.15 0.00 0.02 0.00 0.00 55.97 55.50 1m9p s LYS 139 Cb -0.15 -4.05 0.29 0.00 -0.52 0.00 0.00 37.83 33.40 1m9p s LYS 139 CO 0.11 -1.06 1.15 2.48 -0.92 0.00 0.00 175.35 177.10 1m9p n TYR 140 N 5.88 0.00 0.79 3.18 0.18 -1.26 -5.18 117.16 120.74 1m9p n TYR 140 Ca -0.07 -0.96 0.06 0.00 1.88 0.00 0.00 57.90 58.82 1m9p n TYR 140 Cb 0.46 -0.16 0.37 0.00 -0.38 0.00 0.00 39.34 39.64 1m9p n TYR 140 CO 0.00 0.00 0.00 2.89 -2.08 0.00 0.00 176.86 177.67