#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbm s HIS 2 N 0.00 3.09 -0.06 3.52 5.65 -1.26 -4.91 115.29 121.32 1cbm s HIS 2 Ca 0.00 -1.71 0.03 0.00 0.25 0.00 0.00 55.06 53.63 1cbm s HIS 2 Cb 0.00 -2.03 -0.02 0.00 -1.18 0.00 0.00 32.58 29.34 1cbm s HIS 2 CO 0.00 -0.77 -0.14 -0.51 -0.65 0.00 0.00 174.74 172.68 1cbm s LEU 3 N 1.28 2.75 0.87 8.88 1.43 -1.26 -5.07 118.68 127.57 1cbm s LEU 3 Ca -0.01 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 1cbm s LEU 3 Cb -0.17 -1.57 0.12 0.00 0.03 0.00 0.00 46.19 44.60 1cbm s LEU 3 CO -0.05 0.32 1.14 0.42 0.23 0.00 0.00 176.35 178.42 1cbm s THR 4 N -0.58 2.12 0.45 5.49 -4.23 -1.26 -4.72 115.64 112.90 1cbm s THR 4 Ca 0.08 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 60.74 1cbm s THR 4 Cb -0.11 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.16 1cbm s THR 4 CO 0.01 -0.05 2.07 -0.65 -0.54 0.00 0.00 174.62 175.46 1cbm h PRO 5 N -1.35 0.37 -0.21 3.99 0.11 -1.99 0.88 132.00 133.80 1cbm h PRO 5 Ca -0.49 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 1cbm h PRO 5 Cb 1.33 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1cbm h PRO 5 CO 0.63 0.24 -0.53 0.93 -0.21 0.00 0.00 178.00 179.06 1cbm h GLU 6 N 0.38 0.60 0.13 1.05 3.07 -2.00 -1.90 114.58 115.92 1cbm h GLU 6 Ca 0.14 -0.37 -0.01 0.00 -0.50 0.00 0.00 59.36 58.62 1cbm h GLU 6 Cb 0.10 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1cbm h GLU 6 CO -0.03 0.98 -0.06 0.93 -1.40 0.00 0.00 179.01 179.42 1cbm h GLU 7 N 0.46 -0.17 -0.71 2.33 5.08 -1.67 -2.36 114.58 117.55 1cbm h GLU 7 Ca 0.01 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 1cbm h GLU 7 Cb 1.08 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.29 1cbm h GLU 7 CO 0.10 0.17 0.35 -0.22 -1.00 0.00 0.00 179.01 178.42 1cbm h LYS 8 N -0.54 0.58 -0.36 2.33 3.64 -0.79 -0.28 116.57 121.16 1cbm h LYS 8 Ca -0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1cbm h LYS 8 Cb 0.42 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1cbm h LYS 8 CO 0.03 0.38 0.15 0.66 -2.27 0.00 0.00 179.45 178.40 1cbm h SER 9 N 0.59 0.49 -0.37 4.20 4.64 -1.33 -0.77 113.55 121.00 1cbm h SER 9 Ca 0.35 -0.16 -0.12 0.00 -0.47 0.00 0.00 61.79 61.40 1cbm h SER 9 Cb 0.38 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1cbm h SER 9 CO -0.27 0.51 -0.23 0.00 -0.87 0.00 0.00 176.83 175.96 1cbm h ALA 10 N 1.00 0.53 -0.17 5.18 0.00 -1.15 -1.39 119.26 123.25 1cbm h ALA 10 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1cbm h ALA 10 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1cbm h ALA 10 CO -0.01 0.51 0.11 0.28 0.00 0.00 0.00 179.25 180.14 1cbm h VAL 11 N 0.61 1.03 -0.28 0.00 2.07 -0.93 -1.77 116.25 116.99 1cbm h VAL 11 Ca 0.08 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1cbm h VAL 11 Cb 0.80 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1cbm h VAL 11 CO 0.07 0.04 -0.38 0.71 0.02 0.00 0.00 177.57 178.03 1cbm h THR 12 N 0.22 1.29 -0.61 2.57 1.35 -1.14 -1.71 112.91 114.88 1cbm h THR 12 Ca 0.07 -1.53 -0.07 0.00 -0.55 0.00 0.00 66.41 64.32 1cbm h THR 12 Cb -0.01 1.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1cbm h THR 12 CO -0.02 0.49 0.10 0.00 -0.25 0.00 0.00 175.52 175.84 1cbm h ALA 13 N 1.06 0.81 -0.44 6.62 0.00 -1.11 -2.69 119.26 123.51 1cbm h ALA 13 Ca 0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1cbm h ALA 13 Cb 0.89 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1cbm h ALA 13 CO 0.08 0.57 -0.10 1.25 0.00 0.00 0.00 179.25 181.04 1cbm h LEU 14 N 0.92 0.85 -1.57 0.00 6.46 -1.23 -2.95 115.31 117.79 1cbm h LEU 14 Ca 0.19 -0.36 0.03 0.00 -0.12 0.00 0.00 57.88 57.62 1cbm h LEU 14 Cb 0.42 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1cbm h LEU 14 CO 0.01 1.01 0.34 -0.25 -0.62 0.00 0.00 178.44 178.93 1cbm h TRP 15 N 0.68 0.54 0.00 1.25 2.91 -1.18 -1.93 115.95 118.21 1cbm h TRP 15 Ca 0.11 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1cbm h TRP 15 Cb 0.64 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 1cbm h TRP 15 CO 0.05 0.31 0.00 0.41 -1.03 0.00 0.00 178.44 178.18 1cbm n GLY 16 N -1.48 -1.18 0.41 2.65 0.00 -1.02 -2.47 105.19 102.10 1cbm n GLY 16 Ca 0.06 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1cbm n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cbm n LYS 17 N -2.00 1.11 -2.46 1.61 5.02 -0.73 -4.95 118.16 115.76 1cbm n LYS 17 Ca 0.02 -0.83 -0.41 0.00 -2.02 0.00 0.00 58.31 55.07 1cbm n LYS 17 Cb 0.21 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1cbm n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1cbm s VAL 18 N -2.46 3.78 -0.57 -0.18 1.01 -1.03 -4.99 120.40 115.96 1cbm s VAL 18 Ca 0.21 1.50 -0.22 0.00 0.00 0.00 0.00 61.98 63.48 1cbm s VAL 18 Cb 0.19 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.66 1cbm s VAL 18 CO 0.54 0.24 0.84 0.21 0.00 0.00 0.00 175.10 176.93 1cbm s ASN 19 N 0.07 6.26 0.23 3.32 2.47 -1.26 -4.90 114.94 121.12 1cbm s ASN 19 Ca 0.51 -0.73 -0.08 0.00 0.42 0.00 0.00 52.86 52.98 1cbm s ASN 19 Cb -0.30 -2.38 0.20 0.00 -1.45 0.00 0.00 41.25 37.31 1cbm s ASN 19 CO 0.35 -1.17 1.90 -0.37 -3.72 0.00 0.00 177.10 174.08 1cbm h VAL 20 N 5.96 1.23 -0.09 -5.21 -1.51 -1.96 -1.05 116.25 113.62 1cbm h VAL 20 Ca -0.27 -0.42 0.03 0.00 -1.23 0.00 0.00 66.70 64.80 1cbm h VAL 20 Cb 1.08 -0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1cbm h VAL 20 CO 1.08 0.22 0.11 0.44 -1.23 0.00 0.00 177.57 178.19 1cbm h ASP 21 N 1.18 0.00 0.00 4.19 3.32 -1.95 -3.29 116.42 119.86 1cbm h ASP 21 Ca 0.32 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.16 1cbm h ASP 21 Cb -0.12 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1cbm h ASP 21 CO -0.07 0.00 -1.66 1.21 -1.72 0.00 0.00 179.24 177.00 1cbm n GLU 22 N -3.73 0.27 0.02 3.56 2.13 -0.77 -4.70 120.64 117.42 1cbm n GLU 22 Ca -0.01 0.12 0.04 0.00 0.66 0.00 0.00 57.16 57.97 1cbm n GLU 22 Cb 0.21 -0.95 0.42 0.00 0.27 0.00 0.00 31.44 31.40 1cbm n GLU 22 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1cbm h VAL 23 N -0.45 1.11 -0.47 6.31 2.07 -1.34 -2.71 116.25 120.76 1cbm h VAL 23 Ca -0.31 -0.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 1cbm h VAL 23 Cb 1.25 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1cbm h VAL 23 CO -0.19 0.12 -0.08 1.23 0.02 0.00 0.00 177.57 178.67 1cbm h GLY 24 N 0.56 0.97 0.98 2.17 0.00 -1.76 -0.11 103.07 105.88 1cbm h GLY 24 Ca 0.13 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 1cbm h GLY 24 CO -0.02 0.71 0.15 -1.33 0.00 0.00 0.00 176.54 176.04 1cbm h GLY 25 N 0.74 0.90 1.00 4.60 0.00 -1.72 -0.75 103.07 107.84 1cbm h GLY 25 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1cbm h GLY 25 CO 0.04 0.51 0.30 -2.09 0.00 0.00 0.00 176.54 175.30 1cbm h GLU 26 N 0.73 0.61 0.02 4.80 4.57 -1.34 0.13 114.58 124.10 1cbm h GLU 26 Ca 0.17 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1cbm h GLU 26 Cb 0.31 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1cbm h GLU 26 CO -0.00 0.41 -0.01 0.00 -1.18 0.00 0.00 179.01 178.23 1cbm h ALA 27 N 1.16 -0.03 -0.75 2.92 0.00 -0.84 -1.07 119.26 120.65 1cbm h ALA 27 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1cbm h ALA 27 Cb -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1cbm h ALA 27 CO -0.04 -0.30 0.43 1.25 0.00 0.00 0.00 179.25 180.59 1cbm h LEU 28 N -0.45 0.93 -0.40 0.00 5.85 -1.12 -1.84 115.31 118.27 1cbm h LEU 28 Ca -0.00 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1cbm h LEU 28 Cb 0.43 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1cbm h LEU 28 CO 0.00 0.75 0.01 1.23 -0.34 0.00 0.00 178.44 180.09 1cbm h GLY 29 N 1.04 0.76 1.72 3.75 0.00 -0.74 -2.50 103.07 107.10 1cbm h GLY 29 Ca 0.27 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1cbm h GLY 29 CO -0.05 0.51 -0.08 3.21 0.00 0.00 0.00 176.54 180.14 1cbm h ARG 30 N 0.53 0.34 -0.28 4.80 3.08 -0.96 -2.28 114.38 119.61 1cbm h ARG 30 Ca 0.12 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.14 1cbm h ARG 30 Cb 0.46 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 1cbm h ARG 30 CO 0.02 0.44 -0.00 1.25 -1.07 0.00 0.00 179.97 180.60 1cbm h LEU 31 N 0.33 -0.12 -1.25 3.04 5.85 -1.04 0.88 115.31 123.00 1cbm h LEU 31 Ca 0.07 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1cbm h LEU 31 Cb 0.35 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1cbm h LEU 31 CO 0.02 -0.03 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.89 1cbm h LEU 32 N 0.08 0.34 0.03 2.25 3.38 -1.02 0.06 115.31 120.43 1cbm h LEU 32 Ca 0.14 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1cbm h LEU 32 Cb 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1cbm h LEU 32 CO -0.23 0.50 -0.28 0.58 0.09 0.00 0.00 178.44 179.10 1cbm h VAL 33 N 0.33 1.66 -0.05 1.22 2.07 -1.17 -3.32 116.25 116.99 1cbm h VAL 33 Ca 0.06 -2.38 -0.18 0.00 0.82 0.00 0.00 66.70 65.03 1cbm h VAL 33 Cb 0.44 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 1cbm h VAL 33 CO 0.03 0.61 -0.73 0.58 0.02 0.00 0.00 177.57 178.08 1cbm h VAL 34 N -0.86 1.41 -2.79 2.57 2.07 -0.81 -3.37 116.25 114.47 1cbm h VAL 34 Ca -0.06 -2.21 -0.61 0.00 0.82 0.00 0.00 66.70 64.65 1cbm h VAL 34 Cb 1.16 2.16 -0.41 0.00 -1.52 0.00 0.00 31.29 32.69 1cbm h VAL 34 CO 0.02 0.65 -0.71 -1.22 0.02 0.00 0.00 177.57 176.33 1cbm n TYR 35 N -3.81 1.93 0.31 1.57 4.01 0.00 -4.98 117.16 116.20 1cbm n TYR 35 Ca -0.04 -3.98 0.19 0.00 -0.16 0.00 0.00 57.90 53.91 1cbm n TYR 35 Cb 0.70 -0.35 1.02 0.00 -0.31 0.00 0.00 39.34 40.41 1cbm n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1cbm h PRO 36 N 5.36 0.00 0.00 -0.72 0.13 -1.73 -1.99 132.00 133.05 1cbm h PRO 36 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1cbm h PRO 36 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1cbm h PRO 36 CO 0.61 0.02 0.00 0.11 -0.23 0.00 0.00 178.00 178.51 1cbm h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.17 115.95 113.50 1cbm h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1cbm h TRP 37 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.37 1cbm h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1cbm h THR 38 N 0.00 0.00 -0.12 0.12 1.35 -1.68 -2.77 112.91 109.81 1cbm h THR 38 Ca 0.00 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 1cbm h THR 38 Cb 0.23 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1cbm h THR 38 CO 0.00 0.00 0.03 1.56 -0.25 0.00 0.00 175.52 176.86 1cbm h GLN 39 N 0.00 0.17 -0.31 4.72 4.20 -1.61 -2.50 115.11 119.78 1cbm h GLN 39 Ca 0.00 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.78 1cbm h GLN 39 Cb 0.35 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1cbm h GLN 39 CO 0.00 0.16 0.24 0.07 -0.67 0.00 0.00 178.83 178.63 1cbm h ARG 40 N 0.17 0.00 0.00 1.46 0.11 -1.70 -1.91 114.38 112.51 1cbm h ARG 40 Ca 0.04 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.08 1cbm h ARG 40 Cb 0.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 1cbm h ARG 40 CO -0.00 0.00 -0.21 0.74 0.10 0.00 0.00 179.97 180.60 1cbm h PHE 41 N 0.00 0.00 -2.70 4.08 0.04 -1.69 -3.37 116.94 113.30 1cbm h PHE 41 Ca 0.15 0.00 -0.80 0.00 2.80 0.00 0.00 57.97 60.11 1cbm h PHE 41 Cb 0.63 0.00 -0.26 0.00 2.20 0.00 0.00 35.95 38.51 1cbm h PHE 41 CO 0.00 0.21 0.95 1.19 -0.60 0.00 0.00 178.31 180.06 1cbm n PHE 42 N -3.25 2.32 -0.30 -0.55 3.72 -0.72 -4.83 117.46 113.85 1cbm n PHE 42 Ca 0.01 -2.59 0.02 0.00 -0.05 0.00 0.00 57.45 54.85 1cbm n PHE 42 Cb 0.50 -1.32 0.21 0.00 -0.94 0.00 0.00 39.48 37.93 1cbm n PHE 42 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1cbm h GLU 43 N 5.38 1.07 -0.49 -1.08 4.81 -1.79 -2.85 114.58 119.63 1cbm h GLU 43 Ca 0.24 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1cbm h GLU 43 Cb 0.59 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1cbm h GLU 43 CO 1.36 0.71 0.00 -1.13 -0.73 0.00 0.00 179.01 179.22 1cbm n SER 44 N -4.45 3.50 0.09 1.04 3.41 -1.26 -4.58 113.62 111.37 1cbm n SER 44 Ca 0.12 -1.97 0.13 0.00 -0.26 0.00 0.00 58.87 56.89 1cbm n SER 44 Cb 0.12 -0.32 0.41 0.00 -0.26 0.00 0.00 64.21 64.16 1cbm n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1cbm n PHE 45 N 1.37 0.82 -1.14 7.33 3.01 -1.08 -5.03 117.46 122.74 1cbm n PHE 45 Ca 0.19 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.89 1cbm n PHE 45 Cb 0.57 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 1cbm n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1cbm n GLY 46 N 1.33 0.74 3.67 1.37 0.00 -1.26 -4.86 105.19 106.18 1cbm n GLY 46 Ca 0.06 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1cbm n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cbm s ASP 47 N -4.00 6.93 -0.07 1.61 2.15 -1.26 -4.84 116.67 117.19 1cbm s ASP 47 Ca 0.00 1.87 0.20 0.00 0.43 0.00 0.00 52.55 55.05 1cbm s ASP 47 Cb 0.00 -2.55 0.40 0.00 -0.30 0.00 0.00 42.92 40.48 1cbm s ASP 47 CO 0.00 -0.71 1.18 0.18 -0.17 0.00 0.00 175.17 175.64 1cbm n LEU 48 N 5.97 1.54 0.17 -1.34 4.77 -1.26 -4.38 117.00 122.47 1cbm n LEU 48 Ca 0.13 -2.59 0.05 0.00 -0.03 0.00 0.00 56.01 53.57 1cbm n LEU 48 Cb 0.45 -0.18 0.16 0.00 -2.33 0.00 0.00 43.42 41.52 1cbm n LEU 48 CO 0.57 0.79 0.59 0.77 -1.33 0.00 0.00 177.39 178.77 1cbm h SER 49 N 0.93 0.00 -4.83 -1.43 4.64 -1.91 -3.44 113.55 107.52 1cbm h SER 49 Ca -0.14 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.99 1cbm h SER 49 Cb 1.57 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.51 1cbm h SER 49 CO 0.06 0.39 -0.69 0.42 -0.87 0.00 0.00 176.83 176.14 1cbm s THR 50 N -3.19 0.53 0.22 2.95 -4.23 -1.26 -4.99 115.64 105.66 1cbm s THR 50 Ca 0.03 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 58.58 1cbm s THR 50 Cb 0.08 -1.60 0.16 0.00 1.34 0.00 0.00 72.50 72.48 1cbm s THR 50 CO 0.71 -0.91 1.76 -0.65 -0.54 0.00 0.00 174.62 174.99 1cbm h PRO 51 N 3.06 0.49 0.00 3.99 0.11 -1.99 0.36 132.00 138.02 1cbm h PRO 51 Ca -0.35 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.63 1cbm h PRO 51 Cb 1.16 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1cbm h PRO 51 CO 0.65 0.32 -0.51 -0.44 -0.21 0.00 0.00 178.00 177.81 1cbm h ASP 52 N 0.50 0.00 -0.84 -2.05 3.32 -1.99 0.31 116.42 115.68 1cbm h ASP 52 Ca 0.33 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1cbm h ASP 52 Cb 0.37 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 1cbm h ASP 52 CO -0.29 0.51 0.43 0.00 -1.72 0.00 0.00 179.24 178.17 1cbm h ALA 53 N 1.49 1.09 0.23 3.45 0.00 -0.83 -2.61 119.26 122.08 1cbm h ALA 53 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1cbm h ALA 53 Cb 1.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1cbm h ALA 53 CO 0.07 0.63 -0.11 0.28 0.00 0.00 0.00 179.25 180.11 1cbm h VAL 54 N 1.19 0.65 -0.87 0.00 2.07 0.09 -3.15 116.25 116.23 1cbm h VAL 54 Ca 0.29 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1cbm h VAL 54 Cb 0.08 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1cbm h VAL 54 CO -0.04 0.16 0.51 0.24 0.02 0.00 0.00 177.57 178.46 1cbm h MET 55 N -0.90 1.20 -0.25 1.57 2.86 -0.37 -2.52 114.93 116.50 1cbm h MET 55 Ca -0.03 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1cbm h MET 55 Cb 0.50 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1cbm h MET 55 CO 0.05 0.85 0.00 0.41 1.06 0.00 0.00 176.91 179.28 1cbm n GLY 56 N -1.19 0.78 3.65 8.32 0.00 -0.99 -4.78 105.19 110.98 1cbm n GLY 56 Ca 0.09 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1cbm n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cbm s ASN 57 N -1.50 6.29 0.39 1.61 3.84 -0.95 -4.85 114.94 119.78 1cbm s ASN 57 Ca 0.34 2.54 0.11 0.00 0.21 0.00 0.00 52.86 56.06 1cbm s ASN 57 Cb 0.19 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 39.27 1cbm s ASN 57 CO 0.27 -1.20 1.93 -0.65 -2.79 0.00 0.00 177.10 174.67 1cbm h PRO 58 N 11.29 0.55 -0.02 0.43 0.11 -1.90 -1.01 132.00 141.45 1cbm h PRO 58 Ca -0.48 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.43 1cbm h PRO 58 Cb 1.24 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1cbm h PRO 58 CO 0.94 0.36 -0.74 0.87 -0.21 0.00 0.00 178.00 179.23 1cbm h LYS 59 N 0.57 0.13 -0.42 1.05 1.57 -1.89 -1.33 116.57 116.24 1cbm h LYS 59 Ca 0.35 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1cbm h LYS 59 Cb 0.60 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1cbm h LYS 59 CO -0.13 0.81 0.07 0.28 -0.57 0.00 0.00 179.45 179.91 1cbm h VAL 60 N 0.08 1.24 -0.57 0.50 2.07 -1.53 -0.58 116.25 117.46 1cbm h VAL 60 Ca -0.02 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1cbm h VAL 60 Cb 1.30 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1cbm h VAL 60 CO 0.11 0.30 0.11 0.11 0.02 0.00 0.00 177.57 178.22 1cbm h LYS 61 N 0.55 0.94 -0.40 1.57 1.57 -1.20 0.61 116.57 120.22 1cbm h LYS 61 Ca 0.13 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 1cbm h LYS 61 Cb 0.37 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1cbm h LYS 61 CO 0.01 0.89 -0.23 0.00 -0.57 0.00 0.00 179.45 179.55 1cbm h ALA 62 N 1.01 0.56 -0.58 3.86 0.00 -1.13 -2.85 119.26 120.13 1cbm h ALA 62 Ca 0.18 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1cbm h ALA 62 Cb 0.39 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1cbm h ALA 62 CO 0.01 0.54 -0.06 1.25 0.00 0.00 0.00 179.25 180.99 1cbm h HIS 63 N 0.66 1.17 -0.73 0.00 -0.00 -0.99 -2.89 115.15 112.37 1cbm h HIS 63 Ca 0.08 -0.23 0.05 0.00 -0.00 0.00 0.00 60.37 60.27 1cbm h HIS 63 Cb 0.79 -0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 27.87 1cbm h HIS 63 CO 0.06 1.06 0.48 0.78 -0.00 0.00 0.00 177.93 180.31 1cbm h GLY 64 N 0.95 1.00 2.00 5.26 0.00 -0.72 -0.50 103.07 111.06 1cbm h GLY 64 Ca 0.16 -0.33 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1cbm h GLY 64 CO 0.04 0.27 -0.45 1.70 0.00 0.00 0.00 176.54 178.10 1cbm h LYS 65 N 0.84 0.00 -0.11 4.80 3.64 -1.30 -1.13 116.57 123.30 1cbm h LYS 65 Ca 0.30 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.53 1cbm h LYS 65 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1cbm h LYS 65 CO -0.09 0.45 -0.59 0.87 -2.27 0.00 0.00 179.45 177.82 1cbm h LYS 66 N 0.00 0.38 -0.42 1.90 1.57 -0.99 -1.20 116.57 117.80 1cbm h LYS 66 Ca -0.00 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1cbm h LYS 66 Cb 0.90 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1cbm h LYS 66 CO 0.06 0.86 0.17 0.28 -0.57 0.00 0.00 179.45 180.24 1cbm h VAL 67 N 0.28 1.20 -0.84 0.50 2.07 -1.12 -2.57 116.25 115.77 1cbm h VAL 67 Ca -0.00 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1cbm h VAL 67 Cb 1.11 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1cbm h VAL 67 CO 0.10 0.23 0.47 -0.07 0.02 0.00 0.00 177.57 178.31 1cbm h LEU 68 N 0.54 1.05 -0.76 2.57 3.38 -1.06 -1.15 115.31 119.89 1cbm h LEU 68 Ca 0.14 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1cbm h LEU 68 Cb 0.19 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1cbm h LEU 68 CO -0.01 0.84 0.47 1.23 0.09 0.00 0.00 178.44 181.05 1cbm h GLY 69 N 1.17 1.11 1.07 0.83 0.00 -0.94 -1.16 103.07 105.15 1cbm h GLY 69 Ca 0.30 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1cbm h GLY 69 CO -0.05 0.26 0.11 0.00 0.00 0.00 0.00 176.54 176.87 1cbm h ALA 70 N 1.34 0.90 -0.56 3.60 0.00 -1.06 -1.36 119.26 122.12 1cbm h ALA 70 Ca 0.32 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1cbm h ALA 70 Cb 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1cbm h ALA 70 CO -0.14 0.66 0.37 0.35 0.00 0.00 0.00 179.25 180.49 1cbm h PHE 71 N 1.04 0.69 -0.56 0.00 3.04 -0.79 -1.09 116.94 119.26 1cbm h PHE 71 Ca 0.21 0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.23 1cbm h PHE 71 Cb 0.44 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.66 1cbm h PHE 71 CO 0.03 0.43 0.26 0.77 -2.02 0.00 0.00 178.31 177.78 1cbm h SER 72 N 0.74 0.35 -0.74 0.41 0.02 -0.82 0.17 113.55 113.67 1cbm h SER 72 Ca 0.21 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.32 1cbm h SER 72 Cb -0.07 -0.02 -0.08 0.00 0.14 0.00 0.00 62.40 62.38 1cbm h SER 72 CO -0.05 0.23 0.35 0.44 -1.14 0.00 0.00 176.83 176.66 1cbm h ASP 73 N 0.50 0.43 0.03 3.07 5.19 -0.70 -0.96 116.42 123.98 1cbm h ASP 73 Ca 0.26 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.76 1cbm h ASP 73 Cb 0.21 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1cbm h ASP 73 CO -0.20 0.22 -0.09 1.23 -3.12 0.00 0.00 179.24 177.27 1cbm h GLY 74 N 0.57 -0.13 1.61 2.75 0.00 0.18 -2.70 103.07 105.35 1cbm h GLY 74 Ca 0.38 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1cbm h GLY 74 CO -0.32 -0.10 0.25 1.41 0.00 0.00 0.00 176.54 177.79 1cbm h LEU 75 N -0.17 0.45 0.00 3.11 3.38 -0.40 -0.90 115.31 120.78 1cbm h LEU 75 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1cbm h LEU 75 Cb 0.20 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1cbm h LEU 75 CO -0.07 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.79 1cbm n ALA 76 N -2.48 2.24 -2.80 1.53 0.00 -0.42 -4.12 120.51 114.46 1cbm n ALA 76 Ca 0.03 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1cbm n ALA 76 Cb 0.06 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.10 1cbm n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cbm n HIS 77 N -1.40 1.10 0.27 0.00 8.25 -0.36 -4.93 115.22 118.15 1cbm n HIS 77 Ca 0.09 -3.13 0.12 0.00 -0.26 0.00 0.00 57.72 54.54 1cbm n HIS 77 Cb 0.26 -0.38 0.77 0.00 1.12 0.00 0.00 29.99 31.76 1cbm n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1cbm h LEU 78 N 2.97 0.00 -0.00 2.41 3.38 -1.67 0.79 115.31 123.18 1cbm h LEU 78 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cbm h LEU 78 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1cbm h LEU 78 CO 0.53 0.07 0.00 -0.90 0.09 0.00 0.00 178.44 178.23 1cbm n ASP 79 N -3.91 0.06 -3.00 -0.43 5.68 -1.26 -4.12 116.55 109.57 1cbm n ASP 79 Ca -0.03 0.51 -0.15 0.00 -0.50 0.00 0.00 54.79 54.63 1cbm n ASP 79 Cb 0.16 -0.52 -0.00 0.00 -1.14 0.00 0.00 41.12 39.61 1cbm n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1cbm n ASN 80 N -1.56 0.86 -0.11 -1.12 5.15 0.26 -4.96 115.26 113.79 1cbm n ASN 80 Ca 0.07 -2.93 -0.13 0.00 -0.60 0.00 0.00 54.58 50.99 1cbm n ASN 80 Cb 0.33 -0.47 -0.01 0.00 -0.53 0.00 0.00 39.78 39.11 1cbm n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1cbm h LEU 81 N 2.98 0.97 -0.72 1.20 3.38 -1.69 -1.87 115.31 119.56 1cbm h LEU 81 Ca 0.02 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1cbm h LEU 81 Cb 1.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1cbm h LEU 81 CO 0.48 1.23 0.48 0.11 0.09 0.00 0.00 178.44 180.83 1cbm h LYS 82 N 0.74 0.95 -0.20 1.13 1.79 -1.91 -1.65 116.57 117.41 1cbm h LYS 82 Ca 0.06 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1cbm h LYS 82 Cb 0.98 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1cbm h LYS 82 CO 0.09 0.63 -0.14 0.78 -1.08 0.00 0.00 179.45 179.73 1cbm h GLY 83 N 0.98 0.49 0.53 3.86 0.00 -1.95 -1.97 103.07 105.01 1cbm h GLY 83 Ca 0.26 -0.47 0.10 0.00 0.00 0.00 0.00 47.33 47.22 1cbm h GLY 83 CO -0.06 0.43 0.60 -0.84 0.00 0.00 0.00 176.54 176.67 1cbm h THR 84 N 0.14 0.95 -0.55 4.70 2.02 -1.23 -2.49 112.91 116.45 1cbm h THR 84 Ca 0.04 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1cbm h THR 84 Cb 0.66 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1cbm h THR 84 CO 0.04 0.18 0.00 0.49 0.37 0.00 0.00 175.52 176.60 1cbm n PHE 85 N -4.63 1.68 0.04 3.16 3.72 -0.63 -4.67 117.46 116.13 1cbm n PHE 85 Ca 0.17 -0.70 -0.11 0.00 -0.05 0.00 0.00 57.45 56.76 1cbm n PHE 85 Cb 0.30 -0.38 -0.04 0.00 -0.94 0.00 0.00 39.48 38.42 1cbm n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cbm h ALA 86 N 3.67 -0.27 -0.03 4.37 0.00 -0.87 0.43 119.26 126.56 1cbm h ALA 86 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1cbm h ALA 86 Cb 1.70 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 1cbm h ALA 86 CO 0.35 -0.71 -0.66 1.79 0.00 0.00 0.00 179.25 180.02 1cbm h THR 87 N -0.34 1.44 -0.11 0.00 1.35 -1.83 -2.27 112.91 111.15 1cbm h THR 87 Ca 0.07 -2.18 -0.12 0.00 -0.55 0.00 0.00 66.41 63.63 1cbm h THR 87 Cb 0.44 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 1cbm h THR 87 CO -0.24 0.63 -0.48 -0.07 -0.25 0.00 0.00 175.52 175.11 1cbm h LEU 88 N 0.09 0.30 -0.32 3.87 3.38 -1.78 -1.49 115.31 119.36 1cbm h LEU 88 Ca -0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1cbm h LEU 88 Cb 1.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1cbm h LEU 88 CO 0.10 0.74 0.04 -1.28 0.09 0.00 0.00 178.44 178.12 1cbm h SER 89 N 0.22 0.51 -0.62 -0.43 0.87 0.06 -0.26 113.55 113.91 1cbm h SER 89 Ca 0.01 -0.27 -0.09 0.00 -1.23 0.00 0.00 61.79 60.20 1cbm h SER 89 Cb 0.94 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1cbm h SER 89 CO 0.08 0.65 0.02 -0.08 -0.53 0.00 0.00 176.83 176.97 1cbm h GLU 90 N 0.35 1.09 0.21 2.24 4.81 -1.24 0.11 114.58 122.16 1cbm h GLU 90 Ca 0.09 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1cbm h GLU 90 Cb 0.37 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1cbm h GLU 90 CO 0.01 1.05 -0.24 1.25 -0.73 0.00 0.00 179.01 180.34 1cbm h LEU 91 N 1.00 -0.65 -0.81 1.64 5.85 -1.07 -0.87 115.31 120.40 1cbm h LEU 91 Ca 0.18 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 1cbm h LEU 91 Cb 0.54 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1cbm h LEU 91 CO 0.03 -0.34 -0.42 0.45 -0.34 0.00 0.00 178.44 177.81 1cbm h HIS 92 N -0.49 0.45 0.00 1.25 3.86 -0.78 0.67 115.15 120.11 1cbm h HIS 92 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1cbm h HIS 92 Cb 0.47 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1cbm h HIS 92 CO -0.18 0.74 -0.28 0.00 0.86 0.00 0.00 177.93 179.07 1cbm h ASP 94 N -0.95 0.55 0.00 0.00 3.32 -1.31 -2.15 116.42 115.88 1cbm h ASP 94 Ca 0.00 -0.33 -0.15 0.00 0.02 0.00 0.00 57.03 56.58 1cbm h ASP 94 Cb 0.28 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1cbm h ASP 94 CO 0.00 0.74 -1.04 0.29 -1.72 0.00 0.00 179.24 177.51 1cbm n LYS 95 N -4.54 0.52 0.07 3.56 5.02 -1.14 -4.60 118.16 117.05 1cbm n LYS 95 Ca -0.03 0.52 0.07 0.00 -2.02 0.00 0.00 58.31 56.85 1cbm n LYS 95 Cb 0.28 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1cbm n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1cbm n LEU 96 N -4.49 0.86 -3.36 -0.35 4.77 0.22 -4.98 117.00 109.66 1cbm n LEU 96 Ca -0.23 0.35 -0.21 0.00 -0.03 0.00 0.00 56.01 55.89 1cbm n LEU 96 Cb 0.52 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.68 1cbm n LEU 96 CO 0.14 -0.05 0.20 1.41 -1.33 0.00 0.00 177.39 177.76 1cbm n HIS 97 N -2.76 -2.53 -2.37 -1.77 8.25 0.19 -4.95 115.22 109.27 1cbm n HIS 97 Ca -0.04 0.93 -0.42 0.00 -0.26 0.00 0.00 57.72 57.94 1cbm n HIS 97 Cb 0.67 -4.81 -0.03 0.00 1.12 0.00 0.00 29.99 26.93 1cbm n HIS 97 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1cbm s VAL 98 N -3.31 3.82 0.39 1.59 0.11 -0.24 -4.97 120.40 117.79 1cbm s VAL 98 Ca 0.40 1.35 -0.27 0.00 -2.93 0.00 0.00 61.98 60.54 1cbm s VAL 98 Cb -0.18 -3.87 -0.09 0.00 -1.53 0.00 0.00 36.38 30.72 1cbm s VAL 98 CO 0.68 0.13 1.34 -0.62 -3.33 0.00 0.00 175.10 173.31 1cbm s ASP 99 N 0.84 6.35 0.42 3.54 -1.08 -1.26 -4.81 116.67 120.67 1cbm s ASP 99 Ca 0.58 2.75 0.09 0.00 -0.52 0.00 0.00 52.55 55.45 1cbm s ASP 99 Cb -0.31 -2.65 0.91 0.00 -1.46 0.00 0.00 42.92 39.41 1cbm s ASP 99 CO 0.31 -0.83 2.03 1.55 0.52 0.00 0.00 175.17 178.75 1cbm h PRO 100 N 2.81 0.50 -0.26 4.34 0.13 -1.98 0.39 132.00 137.93 1cbm h PRO 100 Ca -0.50 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1cbm h PRO 100 Cb 1.24 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1cbm h PRO 100 CO 0.63 0.33 0.18 1.49 -0.23 0.00 0.00 178.00 180.40 1cbm h GLU 101 N 0.52 0.19 -0.06 0.86 4.57 -1.99 -1.99 114.58 116.68 1cbm h GLU 101 Ca 0.20 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 1cbm h GLU 101 Cb 0.14 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1cbm h GLU 101 CO -0.05 0.13 -0.26 -0.91 -1.18 0.00 0.00 179.01 176.73 1cbm h ASN 102 N 0.20 0.09 -0.54 1.04 2.35 -1.28 -1.14 115.58 116.30 1cbm h ASN 102 Ca 0.11 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1cbm h ASN 102 Cb 0.21 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1cbm h ASN 102 CO -0.02 0.36 0.02 -0.26 -1.65 0.00 0.00 177.43 175.88 1cbm h PHE 103 N 0.09 1.01 -0.26 1.19 0.04 -1.45 -2.11 116.94 115.44 1cbm h PHE 103 Ca 0.01 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.60 1cbm h PHE 103 Cb 0.52 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1cbm h PHE 103 CO 0.00 0.92 0.08 0.00 -0.60 0.00 0.00 178.31 178.71 1cbm h ARG 104 N 0.81 0.40 -0.61 1.51 3.08 -1.35 -2.43 114.38 115.80 1cbm h ARG 104 Ca 0.16 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1cbm h ARG 104 Cb 0.50 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 1cbm h ARG 104 CO 0.02 0.47 0.34 -0.07 -1.07 0.00 0.00 179.97 179.66 1cbm h LEU 105 N 0.26 0.52 -0.67 3.04 3.38 -1.04 -1.41 115.31 119.38 1cbm h LEU 105 Ca 0.08 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1cbm h LEU 105 Cb 0.24 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1cbm h LEU 105 CO -0.00 0.35 0.31 0.25 0.09 0.00 0.00 178.44 179.44 1cbm h LEU 106 N 0.65 0.89 -0.53 1.67 5.85 -1.33 0.18 115.31 122.69 1cbm h LEU 106 Ca 0.27 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1cbm h LEU 106 Cb 0.13 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1cbm h LEU 106 CO -0.16 0.78 0.29 1.23 -0.34 0.00 0.00 178.44 180.25 1cbm h GLY 107 N 0.94 0.74 1.07 3.75 0.00 -1.06 -0.03 103.07 108.48 1cbm h GLY 107 Ca 0.23 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1cbm h GLY 107 CO -0.03 0.15 0.10 3.43 0.00 0.00 0.00 176.54 180.20 1cbm h ASN 108 N 0.57 1.07 -0.50 0.19 2.35 -0.63 -1.60 115.58 117.04 1cbm h ASN 108 Ca 0.22 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 1cbm h ASN 108 Cb 0.09 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 1cbm h ASN 108 CO -0.13 1.07 -0.01 0.58 -1.65 0.00 0.00 177.43 177.29 1cbm h VAL 109 N 1.04 1.26 -0.63 2.81 2.07 -0.27 -2.36 116.25 120.16 1cbm h VAL 109 Ca 0.20 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1cbm h VAL 109 Cb 0.46 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1cbm h VAL 109 CO 0.02 0.39 0.33 0.25 0.02 0.00 0.00 177.57 178.58 1cbm h LEU 110 N 0.86 0.79 -0.67 2.57 5.85 -0.46 -0.80 115.31 123.45 1cbm h LEU 110 Ca 0.16 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1cbm h LEU 110 Cb 0.51 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1cbm h LEU 110 CO 0.03 0.67 0.43 0.58 -0.34 0.00 0.00 178.44 179.81 1cbm h VAL 111 N 0.85 1.12 -0.71 1.05 2.07 -1.10 -0.33 116.25 119.20 1cbm h VAL 111 Ca 0.22 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 1cbm h VAL 111 Cb 0.07 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1cbm h VAL 111 CO -0.03 0.16 0.26 0.00 0.02 0.00 0.00 177.57 177.97 1cbm h VAL 113 N 1.03 1.22 -0.77 0.00 2.07 -0.48 -0.79 116.25 118.53 1cbm h VAL 113 Ca 0.24 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 1cbm h VAL 113 Cb 0.23 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1cbm h VAL 113 CO -0.02 0.27 0.29 -0.07 0.02 0.00 0.00 177.57 178.06 1cbm h LEU 114 N 0.63 1.08 -0.51 2.57 3.38 -0.74 -1.54 115.31 120.18 1cbm h LEU 114 Ca 0.15 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1cbm h LEU 114 Cb 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1cbm h LEU 114 CO -0.01 0.97 0.33 0.00 0.09 0.00 0.00 178.44 179.83 1cbm h ALA 115 N 1.18 0.65 -0.85 1.53 0.00 -1.00 0.84 119.26 121.60 1cbm h ALA 115 Ca 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1cbm h ALA 115 Cb 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1cbm h ALA 115 CO -0.02 0.08 0.43 1.25 0.00 0.00 0.00 179.25 180.99 1cbm h HIS 116 N 0.68 1.21 0.16 0.00 -0.00 -0.87 0.13 115.15 116.45 1cbm h HIS 116 Ca 0.19 -0.05 -0.30 0.00 -0.00 0.00 0.00 60.37 60.21 1cbm h HIS 116 Cb -0.06 -0.38 0.03 0.00 -0.00 0.00 0.00 27.41 27.00 1cbm h HIS 116 CO -0.04 0.86 -1.30 1.25 -0.00 0.00 0.00 177.93 178.69 1cbm h HIS 117 N 1.21 0.88 0.00 5.26 6.17 -1.05 -3.37 115.15 124.25 1cbm h HIS 117 Ca 0.29 -0.59 0.00 0.00 0.71 0.00 0.00 60.37 60.78 1cbm h HIS 117 Cb 0.09 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 29.96 1cbm h HIS 117 CO 0.01 1.44 -1.27 1.19 0.71 0.00 0.00 177.93 180.02 1cbm n PHE 118 N -3.72 0.08 0.00 5.26 3.72 0.27 -5.02 117.46 118.05 1cbm n PHE 118 Ca -0.13 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1cbm n PHE 118 Cb 1.02 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 1cbm n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cbm n GLY 119 N 1.39 3.24 0.30 1.37 0.00 0.03 -1.18 105.19 110.34 1cbm n GLY 119 Ca 0.01 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1cbm n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1cbm h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.95 -0.27 116.57 119.60 1cbm h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1cbm h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1cbm h LYS 120 CO 0.00 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 1cbm n GLU 121 N -4.32 0.09 -2.54 1.90 1.02 -0.33 -3.91 120.64 112.56 1cbm n GLU 121 Ca -0.00 0.25 -0.43 0.00 -0.02 0.00 0.00 57.16 56.96 1cbm n GLU 121 Cb 0.21 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1cbm n GLU 121 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1cbm n PHE 122 N -1.82 4.06 -1.59 -0.32 7.35 -0.11 -4.96 117.46 120.06 1cbm n PHE 122 Ca 0.04 -3.04 -0.29 0.00 -0.76 0.00 0.00 57.45 53.40 1cbm n PHE 122 Cb 0.25 -2.22 0.11 0.00 0.35 0.00 0.00 39.48 37.97 1cbm n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cbm s THR 123 N 1.75 2.57 0.15 -2.13 -4.23 -1.25 -4.75 115.64 107.74 1cbm s THR 123 Ca 0.44 0.18 -0.21 0.00 -1.18 0.00 0.00 61.69 60.92 1cbm s THR 123 Cb 0.05 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.95 1cbm s THR 123 CO 0.00 -0.24 1.65 -0.65 -0.54 0.00 0.00 174.62 174.85 1cbm h PRO 124 N -1.24 -0.16 -0.01 3.99 0.11 -1.94 0.30 132.00 133.05 1cbm h PRO 124 Ca -0.48 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1cbm h PRO 124 Cb 1.30 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 1cbm h PRO 124 CO 0.61 -0.11 -0.24 -1.00 -0.21 0.00 0.00 178.00 177.05 1cbm h PRO 125 N -0.17 0.01 -0.24 1.05 0.13 -1.99 0.65 132.00 131.45 1cbm h PRO 125 Ca 0.13 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 1cbm h PRO 125 Cb 0.37 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1cbm h PRO 125 CO -0.33 0.25 -0.30 0.28 -0.23 0.00 0.00 178.00 177.67 1cbm h VAL 126 N 0.01 1.32 -0.52 1.56 2.07 -1.47 -1.91 116.25 117.31 1cbm h VAL 126 Ca -0.00 -1.49 0.04 0.00 0.82 0.00 0.00 66.70 66.07 1cbm h VAL 126 Cb 0.43 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1cbm h VAL 126 CO 0.03 0.47 0.28 -0.61 0.02 0.00 0.00 177.57 177.76 1cbm h GLN 127 N 0.33 0.54 -0.54 1.57 4.15 0.03 -0.32 115.11 120.87 1cbm h GLN 127 Ca 0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1cbm h GLN 127 Cb 0.88 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 1cbm h GLN 127 CO 0.07 0.35 0.34 0.00 -1.93 0.00 0.00 178.83 177.66 1cbm h ALA 128 N 1.26 0.68 -0.18 3.38 0.00 -0.81 -0.28 119.26 123.32 1cbm h ALA 128 Ca 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1cbm h ALA 128 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1cbm h ALA 128 CO -0.13 0.15 0.10 0.00 0.00 0.00 0.00 179.25 179.36 1cbm h ALA 129 N 1.17 0.23 -0.46 0.00 0.00 -1.09 -2.61 119.26 116.50 1cbm h ALA 129 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1cbm h ALA 129 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1cbm h ALA 129 CO -0.04 -0.24 0.25 1.88 0.00 0.00 0.00 179.25 181.10 1cbm h TYR 130 N 0.18 0.61 -0.29 0.00 0.05 -0.77 -1.49 116.97 115.26 1cbm h TYR 130 Ca 0.06 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1cbm h TYR 130 Cb 0.07 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1cbm h TYR 130 CO -0.04 0.44 0.15 0.37 -1.05 0.00 0.00 178.16 178.03 1cbm h GLN 131 N 0.64 0.42 -0.61 4.88 5.75 -0.85 0.12 115.11 125.46 1cbm h GLN 131 Ca 0.16 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1cbm h GLN 131 Cb 0.03 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 1cbm h GLN 131 CO -0.03 0.38 0.30 0.87 -2.65 0.00 0.00 178.83 177.71 1cbm h LYS 132 N 0.35 0.88 0.49 1.69 1.57 -1.08 -1.64 116.57 118.83 1cbm h LYS 132 Ca 0.10 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1cbm h LYS 132 Cb 0.10 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1cbm h LYS 132 CO -0.01 0.70 -0.24 0.28 -0.57 0.00 0.00 179.45 179.61 1cbm h VAL 133 N 0.84 0.51 -0.30 0.50 2.07 -0.88 -0.89 116.25 118.10 1cbm h VAL 133 Ca 0.21 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 1cbm h VAL 133 Cb 0.11 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1cbm h VAL 133 CO -0.03 0.01 0.00 -0.37 0.02 0.00 0.00 177.57 177.20 1cbm h VAL 134 N -0.69 1.18 -0.39 2.57 -1.51 -0.67 -0.04 116.25 116.69 1cbm h VAL 134 Ca -0.07 -0.71 -0.06 0.00 -1.23 0.00 0.00 66.70 64.63 1cbm h VAL 134 Cb 0.52 0.95 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1cbm h VAL 134 CO 0.11 0.24 0.00 0.00 -1.23 0.00 0.00 177.57 176.69 1cbm h ALA 135 N 1.57 0.53 -0.78 5.19 0.00 -1.26 -0.85 119.26 123.66 1cbm h ALA 135 Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1cbm h ALA 135 Cb 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1cbm h ALA 135 CO 0.01 0.30 0.42 0.78 0.00 0.00 0.00 179.25 180.76 1cbm h GLY 136 N 0.52 1.17 0.98 0.00 0.00 -0.01 -1.83 103.07 103.90 1cbm h GLY 136 Ca 0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1cbm h GLY 136 CO 0.02 0.51 0.17 -2.08 0.00 0.00 0.00 176.54 175.16 1cbm h VAL 137 N 1.08 1.23 -0.87 4.60 2.07 -0.90 -0.93 116.25 122.54 1cbm h VAL 137 Ca 0.27 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1cbm h VAL 137 Cb 0.05 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1cbm h VAL 137 CO -0.04 0.29 0.48 0.00 0.02 0.00 0.00 177.57 178.31 1cbm h ALA 138 N 1.03 1.11 -0.54 1.67 0.00 -0.89 0.25 119.26 121.89 1cbm h ALA 138 Ca 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1cbm h ALA 138 Cb 0.27 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1cbm h ALA 138 CO -0.01 0.62 0.20 -0.97 0.00 0.00 0.00 179.25 179.09 1cbm h ASN 139 N 1.21 0.76 -0.49 0.00 -0.73 -1.08 -1.65 115.58 113.60 1cbm h ASN 139 Ca 0.31 -0.19 -0.10 0.00 1.87 0.00 0.00 56.30 58.19 1cbm h ASN 139 Cb 0.03 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 1cbm h ASN 139 CO -0.05 0.74 -0.10 0.00 -0.37 0.00 0.00 177.43 177.65 1cbm h ALA 140 N 1.05 0.67 -0.20 1.57 0.00 -0.86 -2.69 119.26 118.80 1cbm h ALA 140 Ca 0.18 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1cbm h ALA 140 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1cbm h ALA 140 CO -0.01 0.56 -0.15 -0.07 0.00 0.00 0.00 179.25 179.59 1cbm h LEU 141 N 0.78 0.31 -0.78 0.00 -0.00 -0.79 -2.51 115.31 112.32 1cbm h LEU 141 Ca 0.13 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1cbm h LEU 141 Cb 0.65 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1cbm h LEU 141 CO 0.05 0.48 0.00 0.00 -0.00 0.00 0.00 178.44 178.97 1cbm n ALA 142 N -2.48 2.53 -0.28 1.53 0.00 -0.64 -4.48 120.51 116.68 1cbm n ALA 142 Ca -0.00 -0.40 0.06 0.00 0.00 0.00 0.00 53.44 53.10 1cbm n ALA 142 Cb 0.30 -1.12 0.17 0.00 0.00 0.00 0.00 19.45 18.80 1cbm n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cbm h HIS 143 N 1.49 -0.14 0.00 0.00 6.17 -1.13 0.72 115.15 122.26 1cbm h HIS 143 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1cbm h HIS 143 Cb 0.33 0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.45 1cbm h HIS 143 CO 0.09 -0.30 0.00 1.63 0.71 0.00 0.00 177.93 180.06 1cbm n LYS 144 N -5.42 0.11 0.00 5.26 4.76 -1.26 -1.19 118.16 120.43 1cbm n LYS 144 Ca 0.15 0.59 0.12 0.00 -2.87 0.00 0.00 58.31 56.29 1cbm n LYS 144 Cb 0.52 -1.85 0.16 0.00 -1.84 0.00 0.00 35.03 32.01 1cbm n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1cbm n TYR 145 N -2.09 0.00 1.45 2.13 4.01 0.25 -4.99 117.16 117.91 1cbm n TYR 145 Ca -0.01 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.87 1cbm n TYR 145 Cb 0.05 -0.17 0.49 0.00 -0.31 0.00 0.00 39.34 39.39 1cbm n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12