#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nrm h ASP 3 N 0.00 0.00 -0.36 0.00 3.32 -1.99 -0.56 116.42 116.84 2nrm h ASP 3 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2nrm h ASP 3 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2nrm h ASP 3 CO 0.00 0.45 0.11 -0.26 -1.72 0.00 0.00 179.24 177.81 2nrm h PHE 4 N 0.00 0.58 -0.34 4.55 0.04 -1.92 -1.72 116.94 118.12 2nrm h PHE 4 Ca -0.00 -0.06 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 2nrm h PHE 4 Cb 0.91 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 2nrm h PHE 4 CO 0.00 0.57 -0.09 -0.44 -0.60 0.00 0.00 178.31 177.74 2nrm h ASP 5 N 0.43 0.56 -0.47 2.17 3.32 -1.80 -2.57 116.42 118.06 2nrm h ASP 5 Ca 0.12 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 2nrm h ASP 5 Cb 0.26 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2nrm h ASP 5 CO -0.00 0.69 0.19 0.00 -1.72 0.00 0.00 179.24 178.40 2nrm h ALA 6 N 1.37 0.61 -0.51 3.45 0.00 -0.87 -2.57 119.26 120.74 2nrm h ALA 6 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2nrm h ALA 6 Cb 0.48 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2nrm h ALA 6 CO 0.03 0.22 0.19 0.28 0.00 0.00 0.00 179.25 179.96 2nrm h VAL 7 N 0.62 1.19 0.00 0.00 2.07 -1.10 -2.26 116.25 116.77 2nrm h VAL 7 Ca 0.16 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2nrm h VAL 7 Cb 0.19 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2nrm h VAL 7 CO -0.01 0.24 -0.01 -0.07 0.02 0.00 0.00 177.57 177.73 2nrm h LEU 8 N 0.72 0.00 -1.51 2.57 3.38 -1.06 -2.82 115.31 116.60 2nrm h LEU 8 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2nrm h LEU 8 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2nrm h LEU 8 CO -0.01 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.82 2nrm n LYS 9 N -3.66 0.11 0.00 1.13 5.02 -0.85 -4.36 118.16 115.56 2nrm n LYS 9 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2nrm n LYS 9 Cb 0.10 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2nrm n LYS 9 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 2nrm n TRP 11 N 0.70 0.00 -0.15 2.13 -0.00 -1.07 -5.07 117.44 113.98 2nrm n TRP 11 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 2nrm n TRP 11 Cb 0.04 -0.04 0.02 0.00 -0.00 0.00 0.00 31.31 31.34 2nrm n TRP 11 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 2nrm h GLY 12 N 0.00 0.21 2.00 5.87 0.00 -1.90 -0.43 103.07 108.82 2nrm h GLY 12 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 2nrm h GLY 12 CO 0.00 -0.20 -0.08 -2.55 0.00 0.00 0.00 176.54 173.71 2nrm h PRO 13 N -0.07 0.00 0.23 4.80 0.11 -1.91 -0.02 132.00 135.13 2nrm h PRO 13 Ca 0.23 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 2nrm h PRO 13 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2nrm h PRO 13 CO -0.52 0.08 -0.11 0.28 -0.21 0.00 0.00 178.00 177.52 2nrm h VAL 14 N 0.00 0.46 0.00 3.15 2.07 -1.47 -3.31 116.25 117.15 2nrm h VAL 14 Ca -0.00 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2nrm h VAL 14 Cb 0.47 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2nrm h VAL 14 CO 0.01 0.12 0.00 1.05 0.02 0.00 0.00 177.57 178.77 2nrm h GLU 15 N -0.99 0.00 -0.10 1.57 4.11 -1.20 -1.92 114.58 116.04 2nrm h GLU 15 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2nrm h GLU 15 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2nrm h GLU 15 CO 0.05 0.00 0.04 0.00 0.07 0.00 0.00 179.01 179.17 2nrm h ALA 16 N 2.25 1.88 -0.99 1.06 0.00 -1.08 -3.36 119.26 119.02 2nrm h ALA 16 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.59 2nrm h ALA 16 Cb 0.46 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 17.99 2nrm h ALA 16 CO 0.00 0.10 -0.64 -3.47 0.00 0.00 0.00 179.25 175.25 2nrm n ASP 17 N -4.49 -2.42 0.14 0.00 -0.08 -0.76 -5.00 116.55 103.95 2nrm n ASP 17 Ca -0.01 -2.94 0.05 0.00 -1.51 0.00 0.00 54.79 50.38 2nrm n ASP 17 Cb 0.11 1.16 0.50 0.00 2.34 0.00 0.00 41.12 45.23 2nrm n ASP 17 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2nrm h TYR 18 N 4.65 0.22 -0.02 -0.67 0.05 -1.63 -1.03 116.97 118.55 2nrm h TYR 18 Ca 0.02 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2nrm h TYR 18 Cb 1.03 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.69 2nrm h TYR 18 CO 0.13 0.21 -0.02 1.15 -1.05 0.00 0.00 178.16 178.57 2nrm h THR 19 N 0.23 1.41 -0.19 -2.88 2.02 -1.88 0.21 112.91 111.83 2nrm h THR 19 Ca 0.06 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 2nrm h THR 19 Cb 0.11 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 2nrm h THR 19 CO -0.00 0.33 0.03 0.74 0.37 0.00 0.00 175.52 176.98 2nrm h THR 20 N -0.45 1.23 -0.26 3.16 2.02 -1.80 -0.62 112.91 116.19 2nrm h THR 20 Ca 0.00 -0.75 -0.11 0.00 0.77 0.00 0.00 66.41 66.32 2nrm h THR 20 Cb 0.55 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2nrm h THR 20 CO 0.01 0.23 -0.30 0.40 0.37 0.00 0.00 175.52 176.22 2nrm h ILE 21 N 0.10 1.28 -0.70 3.11 1.08 -1.27 -1.46 117.51 119.66 2nrm h ILE 21 Ca 0.06 -1.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.12 2nrm h ILE 21 Cb 0.32 1.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 2nrm h ILE 21 CO 0.00 0.44 0.37 1.23 -0.69 0.00 0.00 178.15 179.51 2nrm h GLY 22 N 1.04 1.04 1.22 5.37 0.00 -0.46 -0.85 103.07 110.44 2nrm h GLY 22 Ca 0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 2nrm h GLY 22 CO 0.06 0.46 0.05 -1.33 0.00 0.00 0.00 176.54 175.78 2nrm h GLY 23 N 0.96 1.02 1.00 4.60 0.00 -0.84 -1.55 103.07 108.26 2nrm h GLY 23 Ca 0.24 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2nrm h GLY 23 CO -0.04 0.63 0.39 1.41 0.00 0.00 0.00 176.54 178.93 2nrm h LEU 24 N 0.88 0.84 0.32 3.11 3.38 -0.70 -0.40 115.31 122.74 2nrm h LEU 24 Ca 0.17 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2nrm h LEU 24 Cb 0.44 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2nrm h LEU 24 CO 0.02 0.67 -0.15 0.58 0.09 0.00 0.00 178.44 179.64 2nrm h VAL 25 N 0.94 0.70 -0.40 1.22 2.07 -0.81 -1.66 116.25 118.32 2nrm h VAL 25 Ca 0.24 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 2nrm h VAL 25 Cb 0.00 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2nrm h VAL 25 CO -0.04 0.05 -0.26 -0.07 0.02 0.00 0.00 177.57 177.27 2nrm h LEU 26 N -0.57 0.85 -0.45 2.57 3.38 -1.23 -0.24 115.31 119.62 2nrm h LEU 26 Ca -0.04 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.62 2nrm h LEU 26 Cb 0.42 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2nrm h LEU 26 CO 0.07 1.07 0.26 0.74 0.09 0.00 0.00 178.44 180.67 2nrm h THR 27 N 0.71 1.03 -0.32 0.22 2.02 -1.07 -1.07 112.91 114.44 2nrm h THR 27 Ca 0.09 -0.18 -0.15 0.00 0.77 0.00 0.00 66.41 66.94 2nrm h THR 27 Cb 0.80 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2nrm h THR 27 CO 0.07 0.09 -0.39 -0.09 0.37 0.00 0.00 175.52 175.57 2nrm h ARG 28 N 0.52 0.77 -0.32 6.66 2.43 -1.10 -0.83 114.38 122.51 2nrm h ARG 28 Ca 0.18 -0.39 0.05 0.00 -0.81 0.00 0.00 59.98 59.01 2nrm h ARG 28 Cb 0.03 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2nrm h ARG 28 CO -0.09 1.02 0.03 1.25 -1.51 0.00 0.00 179.97 180.66 2nrm h LEU 29 N 0.63 -0.07 -0.76 3.80 5.85 -0.73 -0.08 115.31 123.96 2nrm h LEU 29 Ca 0.05 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 2nrm h LEU 29 Cb 0.94 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2nrm h LEU 29 CO 0.09 -0.00 -0.48 -0.26 -0.34 0.00 0.00 178.44 177.44 2nrm h PHE 30 N 0.13 0.41 0.41 1.25 0.04 -1.00 0.33 116.94 118.49 2nrm h PHE 30 Ca 0.15 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2nrm h PHE 30 Cb 0.19 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2nrm h PHE 30 CO -0.21 0.76 -0.19 -0.22 -0.60 0.00 0.00 178.31 177.84 2nrm h LYS 31 N 0.27 -0.53 0.00 1.51 1.63 -0.90 -3.07 116.57 115.48 2nrm h LYS 31 Ca 0.01 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 2nrm h LYS 31 Cb 0.95 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2nrm h LYS 31 CO 0.08 -0.25 -0.34 0.93 -3.45 0.00 0.00 179.45 176.42 2nrm h GLU 32 N -0.74 0.00 -2.20 1.90 5.08 -0.96 -3.38 114.58 114.29 2nrm h GLU 32 Ca -0.06 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.73 2nrm h GLU 32 Cb 0.51 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.38 2nrm h GLU 32 CO 0.09 0.34 -1.02 0.72 -1.00 0.00 0.00 179.01 178.14 2nrm n HIS 33 N -3.21 -0.44 0.28 4.33 8.25 0.10 -5.00 115.22 119.53 2nrm n HIS 33 Ca 0.02 -3.48 0.15 0.00 -0.26 0.00 0.00 57.72 54.16 2nrm n HIS 33 Cb 0.64 -0.08 0.81 0.00 1.12 0.00 0.00 29.99 32.49 2nrm n HIS 33 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2nrm h PRO 34 N 4.80 0.00 0.00 -0.41 0.13 -1.72 -0.66 132.00 134.14 2nrm h PRO 34 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 2nrm h PRO 34 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 2nrm h PRO 34 CO 0.44 0.08 -0.09 1.05 -0.23 0.00 0.00 178.00 179.24 2nrm h GLU 35 N 0.00 0.00 0.00 0.86 9.09 -1.92 -2.39 114.58 120.22 2nrm h GLU 35 Ca -0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 2nrm h GLU 35 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.38 2nrm h GLU 35 CO 0.01 0.09 -0.41 1.79 0.05 0.00 0.00 179.01 180.54 2nrm h THR 36 N 0.00 1.07 -0.24 -1.06 1.35 -1.44 -3.13 112.91 109.45 2nrm h THR 36 Ca -0.00 -1.51 -0.05 0.00 -0.55 0.00 0.00 66.41 64.30 2nrm h THR 36 Cb 0.36 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 2nrm h THR 36 CO 0.01 0.40 -0.08 -0.61 -0.25 0.00 0.00 175.52 174.99 2nrm h GLN 37 N 0.00 0.39 0.00 4.72 4.15 -1.57 -1.56 115.11 121.24 2nrm h GLN 37 Ca -0.00 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 2nrm h GLN 37 Cb 0.84 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.47 2nrm h GLN 37 CO 0.05 0.48 -0.04 0.87 -1.93 0.00 0.00 178.83 178.26 2nrm h LYS 38 N 0.37 0.00 0.00 1.69 6.56 -1.68 -1.92 116.57 121.59 2nrm h LYS 38 Ca 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 2nrm h LYS 38 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 2nrm h LYS 38 CO 0.02 0.04 0.00 1.28 -2.06 0.00 0.00 179.45 178.73 2nrm n LEU 39 N -3.28 0.00 -4.10 2.94 4.77 -0.59 -4.20 117.00 112.54 2nrm n LEU 39 Ca -0.01 0.37 -0.37 0.00 -0.03 0.00 0.00 56.01 55.97 2nrm n LEU 39 Cb 0.21 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 40.84 2nrm n LEU 39 CO 0.26 -0.02 0.09 -0.36 -1.33 0.00 0.00 177.39 176.04 2nrm s PHE 40 N -2.74 3.47 0.57 -1.77 0.40 -0.72 -4.98 117.98 112.20 2nrm s PHE 40 Ca 0.22 -2.74 0.27 0.00 -0.60 0.00 0.00 56.93 54.07 2nrm s PHE 40 Cb 0.19 -3.22 1.56 0.00 0.51 0.00 0.00 43.02 42.06 2nrm s PHE 40 CO 0.47 -0.83 2.07 -1.35 0.70 0.00 0.00 175.22 176.28 2nrm h PRO 41 N 6.89 0.00 0.00 0.24 0.11 -1.80 0.16 132.00 137.61 2nrm h PRO 41 Ca 0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2nrm h PRO 41 Cb 0.94 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2nrm h PRO 41 CO 0.73 0.00 -0.17 0.87 -0.21 0.00 0.00 178.00 179.22 2nrm h LYS 42 N 0.00 0.00 0.00 1.05 1.57 -1.93 -3.28 116.57 113.98 2nrm h LYS 42 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2nrm h LYS 42 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2nrm h LYS 42 CO -0.00 0.17 -1.41 1.19 -0.57 0.00 0.00 179.45 178.82 2nrm n PHE 43 N -3.38 0.00 -1.65 -1.35 3.72 0.23 -4.99 117.46 110.03 2nrm n PHE 43 Ca -0.00 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.94 2nrm n PHE 43 Cb 0.37 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 2nrm n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nrm n ALA 44 N -1.82 0.79 0.00 4.37 0.00 0.32 -2.14 120.51 122.02 2nrm n ALA 44 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2nrm n ALA 44 Cb 0.26 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2nrm n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nrm n GLY 45 N 2.29 2.14 3.69 0.00 0.00 -1.26 -5.00 105.19 107.05 2nrm n GLY 45 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2nrm n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nrm s ILE 46 N -2.36 3.42 0.27 -0.61 1.01 -0.91 -4.94 121.20 117.07 2nrm s ILE 46 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 2nrm s ILE 46 Cb 0.00 -3.56 -0.14 0.00 0.01 0.00 0.00 42.46 38.78 2nrm s ILE 46 CO 0.00 0.01 1.24 0.00 0.00 0.00 0.00 174.94 176.19 2nrm n ALA 47 N 5.24 0.53 -0.34 9.38 0.00 -1.26 -4.85 120.51 129.21 2nrm n ALA 47 Ca 0.14 0.40 0.07 0.00 0.00 0.00 0.00 53.44 54.05 2nrm n ALA 47 Cb 0.42 -2.17 0.26 0.00 0.00 0.00 0.00 19.45 17.97 2nrm n ALA 47 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2nrm h GLN 48 N 3.13 0.93 0.00 0.00 5.75 -1.99 -0.02 115.11 122.91 2nrm h GLN 48 Ca -0.44 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 2nrm h GLN 48 Cb 1.30 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.64 2nrm h GLN 48 CO 0.68 0.61 0.00 0.00 -2.65 0.00 0.00 178.83 177.47 2nrm h ALA 49 N 1.54 1.00 -0.02 3.38 0.00 -2.03 -2.40 119.26 120.74 2nrm h ALA 49 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2nrm h ALA 49 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2nrm h ALA 49 CO -0.24 0.00 -0.35 -0.25 0.00 0.00 0.00 179.25 178.42 2nrm n ASP 50 N -2.74 2.02 -0.04 0.00 8.00 -0.02 -4.50 116.55 119.27 2nrm n ASP 50 Ca -0.01 -1.51 -0.12 0.00 0.71 0.00 0.00 54.79 53.87 2nrm n ASP 50 Cb 0.16 0.33 0.01 0.00 -0.02 0.00 0.00 41.12 41.60 2nrm n ASP 50 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2nrm h ILE 51 N 2.63 1.30 -0.68 0.53 2.04 -1.42 -3.20 117.51 118.71 2nrm h ILE 51 Ca 0.00 -1.76 0.01 0.00 1.00 0.00 0.00 64.86 64.12 2nrm h ILE 51 Cb 0.75 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 2nrm h ILE 51 CO 0.00 0.56 0.45 0.00 0.00 0.00 0.00 178.15 179.16 2nrm h ALA 52 N 0.84 1.55 -0.15 1.87 0.00 -1.79 -1.22 119.26 120.37 2nrm h ALA 52 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2nrm h ALA 52 Cb 1.12 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2nrm h ALA 52 CO 0.11 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2nrm n GLY 53 N -1.44 0.19 3.61 0.00 0.00 -1.22 -4.91 105.19 101.43 2nrm n GLY 53 Ca 0.07 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2nrm n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2nrm s ASN 54 N -1.60 6.63 0.28 1.61 3.84 -0.46 -4.92 114.94 120.32 2nrm s ASN 54 Ca 0.32 0.64 0.04 0.00 0.21 0.00 0.00 52.86 54.07 2nrm s ASN 54 Cb 0.17 -2.39 0.41 0.00 -0.55 0.00 0.00 41.25 38.90 2nrm s ASN 54 CO 0.26 -0.56 1.70 0.00 -2.79 0.00 0.00 177.10 175.71 2nrm h ALA 55 N 8.09 1.07 -0.50 1.71 0.00 -1.91 -1.98 119.26 125.74 2nrm h ALA 55 Ca -0.25 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 2nrm h ALA 55 Cb 1.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2nrm h ALA 55 CO 0.86 0.58 -0.16 0.00 0.00 0.00 0.00 179.25 180.52 2nrm h ALA 56 N 1.31 0.70 -0.19 0.00 0.00 -1.97 -0.02 119.26 119.09 2nrm h ALA 56 Ca 0.04 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2nrm h ALA 56 Cb 0.76 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2nrm h ALA 56 CO 0.06 0.65 0.10 0.28 0.00 0.00 0.00 179.25 180.35 2nrm h VAL 57 N 0.86 1.11 -0.68 0.00 2.07 -1.84 -1.66 116.25 116.11 2nrm h VAL 57 Ca 0.12 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2nrm h VAL 57 Cb 0.74 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2nrm h VAL 57 CO 0.06 0.11 0.25 0.28 0.02 0.00 0.00 177.57 178.28 2nrm h SER 58 N 0.20 0.94 -0.76 0.57 0.02 -1.21 -0.45 113.55 112.87 2nrm h SER 58 Ca 0.07 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 2nrm h SER 58 Cb 0.08 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2nrm h SER 58 CO -0.01 0.85 0.34 0.00 -1.14 0.00 0.00 176.83 176.87 2nrm h ALA 59 N 1.28 0.98 -0.26 3.77 0.00 -0.77 -0.72 119.26 123.54 2nrm h ALA 59 Ca 0.23 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2nrm h ALA 59 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2nrm h ALA 59 CO -0.02 0.57 -0.43 1.25 0.00 0.00 0.00 179.25 180.63 2nrm h HIS 60 N 1.08 0.78 -0.80 0.00 6.17 -0.79 -2.25 115.15 119.33 2nrm h HIS 60 Ca 0.26 -0.24 0.01 0.00 0.71 0.00 0.00 60.37 61.11 2nrm h HIS 60 Cb 0.16 -0.16 -0.04 0.00 2.52 0.00 0.00 27.41 29.89 2nrm h HIS 60 CO 0.01 0.96 0.53 0.78 0.71 0.00 0.00 177.93 180.93 2nrm h GLY 61 N 0.99 1.13 1.00 5.26 0.00 -0.64 -1.35 103.07 109.46 2nrm h GLY 61 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2nrm h GLY 61 CO 0.09 0.42 0.37 0.00 0.00 0.00 0.00 176.54 177.42 2nrm h ALA 62 N 1.49 0.82 -0.55 3.60 0.00 -0.80 -0.97 119.26 122.86 2nrm h ALA 62 Ca 0.29 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2nrm h ALA 62 Cb -0.12 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.35 2nrm h ALA 62 CO -0.06 0.32 0.24 1.15 0.00 0.00 0.00 179.25 180.89 2nrm h THR 63 N 0.87 0.87 0.15 0.00 2.02 -0.72 0.92 112.91 117.02 2nrm h THR 63 Ca 0.23 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 2nrm h THR 63 Cb 0.00 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2nrm h THR 63 CO -0.04 0.08 -0.07 0.58 0.37 0.00 0.00 175.52 176.44 2nrm h VAL 64 N 0.45 0.88 -0.22 3.16 2.07 -0.88 -2.25 116.25 119.46 2nrm h VAL 64 Ca 0.26 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.55 2nrm h VAL 64 Cb 0.25 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2nrm h VAL 64 CO -0.23 0.03 -0.37 -0.07 0.02 0.00 0.00 177.57 176.95 2nrm h LEU 65 N -0.25 0.50 -0.93 2.57 3.38 -0.94 -1.59 115.31 118.04 2nrm h LEU 65 Ca -0.02 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2nrm h LEU 65 Cb 0.19 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2nrm h LEU 65 CO 0.03 0.82 0.61 0.11 0.09 0.00 0.00 178.44 180.11 2nrm h LYS 66 N 0.40 1.23 -0.56 1.13 1.57 -0.78 0.77 116.57 120.33 2nrm h LYS 66 Ca 0.04 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2nrm h LYS 66 Cb 0.83 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 2nrm h LYS 66 CO 0.07 0.82 0.19 -0.22 -0.57 0.00 0.00 179.45 179.74 2nrm h LYS 67 N 1.26 0.87 -0.45 3.15 1.63 -0.94 -0.08 116.57 122.01 2nrm h LYS 67 Ca 0.34 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 2nrm h LYS 67 Cb -0.13 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.35 2nrm h LYS 67 CO -0.07 0.78 0.26 1.25 -3.45 0.00 0.00 179.45 178.21 2nrm h LEU 68 N 0.78 0.55 -1.06 5.20 5.85 -0.93 -1.77 115.31 123.94 2nrm h LEU 68 Ca 0.18 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2nrm h LEU 68 Cb 0.26 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2nrm h LEU 68 CO -0.01 0.47 0.64 1.23 -0.34 0.00 0.00 178.44 180.43 2nrm h GLY 69 N 0.59 1.37 0.85 3.75 0.00 -0.55 0.53 103.07 109.61 2nrm h GLY 69 Ca 0.16 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 47.02 2nrm h GLY 69 CO -0.03 0.48 0.28 -2.09 0.00 0.00 0.00 176.54 175.18 2nrm h GLU 70 N 1.28 0.55 -0.43 4.80 4.81 -0.75 -1.00 114.58 123.84 2nrm h GLU 70 Ca 0.36 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.49 2nrm h GLU 70 Cb -0.11 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 2nrm h GLU 70 CO -0.09 0.36 0.00 1.25 -0.73 0.00 0.00 179.01 179.81 2nrm h LEU 71 N 0.56 0.74 -0.82 1.64 5.85 -0.46 -1.35 115.31 121.46 2nrm h LEU 71 Ca 0.20 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2nrm h LEU 71 Cb 0.04 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2nrm h LEU 71 CO -0.10 0.86 0.53 -0.07 -0.34 0.00 0.00 178.44 179.32 2nrm h LEU 72 N 0.59 0.90 -0.33 2.25 3.38 -0.59 -2.83 115.31 118.68 2nrm h LEU 72 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2nrm h LEU 72 Cb 0.48 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2nrm h LEU 72 CO 0.02 0.64 -0.23 0.29 0.09 0.00 0.00 178.44 179.24 2nrm n LYS 73 N -4.55 0.66 -1.70 1.13 5.02 -0.41 -4.73 118.16 113.58 2nrm n LYS 73 Ca 0.09 -0.33 -0.43 0.00 -2.02 0.00 0.00 58.31 55.61 2nrm n LYS 73 Cb 0.05 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 2nrm n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nrm n ALA 74 N -0.88 1.83 -0.36 7.82 0.00 -0.52 -4.90 120.51 123.50 2nrm n ALA 74 Ca 0.12 0.40 0.05 0.00 0.00 0.00 0.00 53.44 54.01 2nrm n ALA 74 Cb 0.32 -2.37 0.30 0.00 0.00 0.00 0.00 19.45 17.70 2nrm n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nrm n LYS 75 N 2.33 3.81 0.00 0.00 5.02 -1.26 -4.94 118.16 123.12 2nrm n LYS 75 Ca 0.11 -2.29 0.00 0.00 -2.02 0.00 0.00 58.31 54.11 2nrm n LYS 75 Cb 0.34 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 2nrm n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nrm n GLY 76 N 0.49 4.48 3.71 0.72 0.00 -1.26 -5.13 105.19 108.20 2nrm n GLY 76 Ca 0.20 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 2nrm n GLY 76 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nrm s SER 77 N 1.45 6.74 0.04 1.61 0.15 -1.26 -4.92 113.70 117.50 2nrm s SER 77 Ca 0.00 2.39 -0.20 0.00 0.70 0.00 0.00 55.95 58.85 2nrm s SER 77 Cb 0.00 -2.58 -0.15 0.00 -1.71 0.00 0.00 66.02 61.58 2nrm s SER 77 CO 0.00 -0.74 1.31 0.45 1.20 0.00 0.00 173.24 175.47 2nrm h HIS 78 N 7.17 0.50 -1.00 3.44 -0.00 -1.95 -3.23 115.15 120.07 2nrm h HIS 78 Ca -0.42 -0.17 0.23 0.00 -0.00 0.00 0.00 60.37 60.02 2nrm h HIS 78 Cb 1.20 -0.10 -0.10 0.00 -0.00 0.00 0.00 27.41 28.42 2nrm h HIS 78 CO 0.69 0.84 0.63 0.00 -0.00 0.00 0.00 177.93 180.08 2nrm h ALA 79 N 0.58 1.99 -0.09 2.45 0.00 -1.97 -0.44 119.26 121.78 2nrm h ALA 79 Ca 0.01 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2nrm h ALA 79 Cb 0.78 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2nrm h ALA 79 CO 0.05 -0.38 -0.42 0.00 0.00 0.00 0.00 179.25 178.50 2nrm h ALA 80 N 1.65 1.13 -0.01 0.00 0.00 -1.96 0.22 119.26 120.29 2nrm h ALA 80 Ca 0.58 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 2nrm h ALA 80 Cb 1.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2nrm h ALA 80 CO -0.34 0.59 -0.81 0.82 0.00 0.00 0.00 179.25 179.51 2nrm h ILE 81 N 0.16 1.48 -0.18 0.00 2.04 -1.38 -3.32 117.51 116.31 2nrm h ILE 81 Ca 0.01 -2.50 -0.17 0.00 1.00 0.00 0.00 64.86 63.21 2nrm h ILE 81 Cb 0.82 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 2nrm h ILE 81 CO 0.06 0.73 -0.57 -0.07 0.00 0.00 0.00 178.15 178.30 2nrm h LEU 82 N 0.11 0.63 -0.44 1.44 3.38 -0.57 -3.34 115.31 116.51 2nrm h LEU 82 Ca -0.03 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2nrm h LEU 82 Cb 1.41 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2nrm h LEU 82 CO 0.12 1.06 0.21 0.50 0.09 0.00 0.00 178.44 180.43 2nrm h LYS 83 N 0.42 0.62 -0.29 1.13 3.64 -1.07 -1.29 116.57 119.75 2nrm h LYS 83 Ca 0.00 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2nrm h LYS 83 Cb 1.12 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2nrm h LYS 83 CO 0.11 0.53 0.14 -1.35 -2.27 0.00 0.00 179.45 176.61 2nrm h PRO 84 N 0.56 0.39 -0.30 1.90 0.11 -1.76 -0.61 132.00 132.29 2nrm h PRO 84 Ca 0.15 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 2nrm h PRO 84 Cb 0.11 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2nrm h PRO 84 CO -0.02 0.30 0.14 -0.07 -0.21 0.00 0.00 178.00 178.14 2nrm h LEU 85 N 0.39 0.39 -0.44 2.35 3.38 -1.47 -1.19 115.31 118.72 2nrm h LEU 85 Ca 0.10 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2nrm h LEU 85 Cb 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2nrm h LEU 85 CO -0.02 0.41 0.27 0.00 0.09 0.00 0.00 178.44 179.19 2nrm h ALA 86 N 1.00 0.57 -0.34 1.53 0.00 -0.71 -0.46 119.26 120.84 2nrm h ALA 86 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2nrm h ALA 86 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2nrm h ALA 86 CO -0.01 0.06 0.15 -0.91 0.00 0.00 0.00 179.25 178.54 2nrm h ASN 87 N 0.59 0.21 -0.29 0.00 2.35 -0.91 0.01 115.58 117.54 2nrm h ASN 87 Ca 0.16 0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.77 2nrm h ASN 87 Cb -0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 2nrm h ASN 87 CO -0.03 0.16 -0.44 0.77 -1.65 0.00 0.00 177.43 176.24 2nrm h SER 88 N 0.32 0.88 0.43 5.81 4.64 -1.06 -1.64 113.55 122.93 2nrm h SER 88 Ca 0.14 -0.51 -0.14 0.00 -0.47 0.00 0.00 61.79 60.81 2nrm h SER 88 Cb 0.08 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2nrm h SER 88 CO -0.12 1.22 -0.62 0.45 -0.87 0.00 0.00 176.83 176.90 2nrm h HIS 89 N 0.56 0.24 -0.01 4.77 3.86 -0.84 0.31 115.15 124.04 2nrm h HIS 89 Ca 0.03 -0.09 -0.13 0.00 -1.16 0.00 0.00 60.37 59.01 2nrm h HIS 89 Cb 1.03 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 29.47 2nrm h HIS 89 CO 0.08 0.75 -0.51 0.00 0.86 0.00 0.00 177.93 179.11 2nrm h ALA 90 N 1.22 0.07 0.00 2.45 0.00 -1.00 0.21 119.26 122.21 2nrm h ALA 90 Ca -0.01 -0.54 -0.31 0.00 0.00 0.00 0.00 54.91 54.05 2nrm h ALA 90 Cb 1.12 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2nrm h ALA 90 CO 0.09 0.29 -2.27 0.25 0.00 0.00 0.00 179.25 177.61 2nrm n THR 91 N -4.29 1.22 -0.11 0.00 -2.24 -0.62 -3.88 114.28 104.35 2nrm n THR 91 Ca -0.10 -0.80 -0.19 0.00 -2.27 0.00 0.00 64.05 60.68 2nrm n THR 91 Cb 0.63 -0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 2nrm n THR 91 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2nrm n LYS 92 N -2.71 0.56 0.12 -0.78 5.02 -0.04 -4.71 118.16 115.62 2nrm n LYS 92 Ca -0.28 0.27 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 2nrm n LYS 92 Cb 1.07 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.61 2nrm n LYS 92 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2nrm h HIS 93 N -1.00 0.00 -5.60 2.13 3.86 -1.27 -3.49 115.15 109.79 2nrm h HIS 93 Ca -0.35 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.56 2nrm h HIS 93 Cb 1.28 0.00 0.18 0.00 1.06 0.00 0.00 27.41 29.93 2nrm h HIS 93 CO -0.23 0.27 -0.81 1.63 0.86 0.00 0.00 177.93 179.65 2nrm n LYS 94 N -2.96 -4.72 -3.50 2.45 5.02 -0.08 -4.98 118.16 109.39 2nrm n LYS 94 Ca -0.01 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 56.72 2nrm n LYS 94 Cb 0.66 -5.80 -0.10 0.00 -0.02 0.00 0.00 35.03 29.77 2nrm n LYS 94 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2nrm s ILE 95 N -3.39 5.26 0.39 -0.18 -1.09 -0.35 -5.02 121.20 116.81 2nrm s ILE 95 Ca 0.19 -0.20 -0.27 0.00 -2.23 0.00 0.00 60.65 58.15 2nrm s ILE 95 Cb -0.03 -3.76 -0.11 0.00 -1.58 0.00 0.00 42.46 36.99 2nrm s ILE 95 CO 0.74 -0.06 1.27 -2.65 -1.23 0.00 0.00 174.94 173.01 2nrm n PRO 96 N 5.17 2.00 0.25 2.79 -0.02 -1.26 -4.76 135.00 139.17 2nrm n PRO 96 Ca -0.12 0.71 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 2nrm n PRO 96 Cb 0.49 -2.35 0.64 0.00 -0.02 0.00 0.00 33.50 32.27 2nrm n PRO 96 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2nrm h ILE 97 N 2.27 0.96 0.00 4.25 6.09 -1.97 -1.64 117.51 127.48 2nrm h ILE 97 Ca -0.47 -0.20 -0.01 0.00 -1.37 0.00 0.00 64.86 62.81 2nrm h ILE 97 Cb 1.29 1.11 -0.00 0.00 0.47 0.00 0.00 36.82 39.69 2nrm h ILE 97 CO 0.61 0.06 -0.04 -1.13 -3.07 0.00 0.00 178.15 174.57 2nrm h ASN 98 N 0.00 0.00 0.10 2.19 -1.24 -2.00 -2.14 115.58 112.50 2nrm h ASN 98 Ca -0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 2nrm h ASN 98 Cb 0.11 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 2nrm h ASN 98 CO 0.01 0.04 -0.07 0.78 -1.29 0.00 0.00 177.43 176.90 2nrm h ASN 99 N 0.00 0.00 0.02 1.15 2.35 -1.65 -1.30 115.58 116.15 2nrm h ASN 99 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 2nrm h ASN 99 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2nrm h ASN 99 CO 0.01 0.07 -0.31 -0.26 -1.65 0.00 0.00 177.43 175.29 2nrm h PHE 100 N 0.00 0.49 -0.65 1.19 -1.00 -1.57 -1.78 116.94 113.62 2nrm h PHE 100 Ca -0.00 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.62 2nrm h PHE 100 Cb 0.15 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 2nrm h PHE 100 CO 0.00 0.70 0.25 0.87 -1.61 0.00 0.00 178.31 178.51 2nrm h LYS 101 N 0.37 0.98 -0.35 1.51 1.57 -1.37 -1.77 116.57 117.51 2nrm h LYS 101 Ca 0.05 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2nrm h LYS 101 Cb 0.73 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2nrm h LYS 101 CO 0.06 0.83 0.11 -0.07 -0.57 0.00 0.00 179.45 179.81 2nrm h LEU 102 N 0.92 0.50 -1.00 2.94 3.38 -1.07 -2.16 115.31 118.83 2nrm h LEU 102 Ca 0.22 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2nrm h LEU 102 Cb 0.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2nrm h LEU 102 CO -0.02 0.56 -0.33 -0.29 0.09 0.00 0.00 178.44 178.45 2nrm h ILE 103 N 0.41 1.28 -0.30 1.22 2.10 -1.31 -2.42 117.51 118.49 2nrm h ILE 103 Ca 0.11 -1.36 0.00 0.00 1.08 0.00 0.00 64.86 64.70 2nrm h ILE 103 Cb 0.24 1.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.49 2nrm h ILE 103 CO -0.00 0.41 0.19 -1.28 -1.08 0.00 0.00 178.15 176.39 2nrm h SER 104 N 0.26 0.34 -0.05 2.19 0.87 -0.98 -0.56 113.55 115.62 2nrm h SER 104 Ca 0.03 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 2nrm h SER 104 Cb 0.72 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2nrm h SER 104 CO 0.05 0.26 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.07 2nrm h GLU 105 N 0.40 0.45 -0.36 2.24 4.39 -1.25 -0.49 114.58 119.97 2nrm h GLU 105 Ca 0.11 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2nrm h GLU 105 Cb -0.03 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2nrm h GLU 105 CO -0.02 0.65 0.18 0.28 -1.16 0.00 0.00 179.01 178.94 2nrm h VAL 106 N 0.41 1.16 -0.83 3.13 2.07 -1.15 -2.48 116.25 118.56 2nrm h VAL 106 Ca 0.07 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.18 2nrm h VAL 106 Cb 0.61 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2nrm h VAL 106 CO 0.04 0.16 0.53 0.25 0.02 0.00 0.00 177.57 178.58 2nrm h LEU 107 N 0.44 0.88 -0.47 2.57 5.85 -0.42 0.08 115.31 124.25 2nrm h LEU 107 Ca 0.12 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2nrm h LEU 107 Cb 0.10 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2nrm h LEU 107 CO -0.02 0.61 0.23 0.58 -0.34 0.00 0.00 178.44 179.50 2nrm h VAL 108 N 1.04 0.96 -0.35 1.05 2.07 -0.98 -0.34 116.25 119.69 2nrm h VAL 108 Ca 0.33 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 2nrm h VAL 108 Cb 0.01 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2nrm h VAL 108 CO -0.11 0.08 0.04 0.11 0.02 0.00 0.00 177.57 177.71 2nrm h LYS 109 N 0.46 0.59 -0.66 1.57 1.57 -0.90 -0.39 116.57 118.82 2nrm h LYS 109 Ca 0.21 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2nrm h LYS 109 Cb 0.12 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2nrm h LYS 109 CO -0.15 0.68 0.22 0.28 -0.57 0.00 0.00 179.45 179.91 2nrm h VAL 110 N 0.42 1.24 -0.06 0.50 2.07 -0.76 -1.94 116.25 117.72 2nrm h VAL 110 Ca 0.11 -0.82 -0.13 0.00 0.82 0.00 0.00 66.70 66.67 2nrm h VAL 110 Cb 0.38 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2nrm h VAL 110 CO 0.01 0.32 -0.57 0.24 0.02 0.00 0.00 177.57 177.59 2nrm h MET 111 N 0.98 0.19 -0.82 1.57 2.86 -0.84 0.82 114.93 119.69 2nrm h MET 111 Ca 0.22 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.77 2nrm h MET 111 Cb 0.26 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 2nrm h MET 111 CO -0.01 0.70 0.53 0.37 1.06 0.00 0.00 176.91 179.57 2nrm h GLN 112 N 0.14 1.02 0.07 1.72 4.15 -0.70 0.13 115.11 121.64 2nrm h GLN 112 Ca -0.00 -0.06 -0.26 0.00 0.77 0.00 0.00 58.65 59.10 2nrm h GLN 112 Cb 1.04 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 2nrm h GLN 112 CO 0.08 0.67 -1.26 0.93 -1.93 0.00 0.00 178.83 177.33 2nrm h GLU 113 N 1.05 0.15 0.00 1.69 5.08 -0.95 -3.36 114.58 118.24 2nrm h GLU 113 Ca 0.32 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2nrm h GLU 113 Cb -0.02 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2nrm h GLU 113 CO -0.10 1.06 -0.90 1.63 -1.00 0.00 0.00 179.01 179.70 2nrm n LYS 114 N -3.41 2.02 -0.18 2.33 4.76 0.25 -4.76 118.16 119.17 2nrm n LYS 114 Ca -0.08 -0.03 0.02 0.00 -2.87 0.00 0.00 58.31 55.35 2nrm n LYS 114 Cb 1.00 -1.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.22 2nrm n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2nrm n ALA 115 N -1.49 1.80 -2.45 7.82 0.00 -0.00 -4.86 120.51 121.33 2nrm n ALA 115 Ca -0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 53.44 52.00 2nrm n ALA 115 Cb 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 19.45 19.33 2nrm n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nrm n GLY 116 N -0.43 -0.36 3.60 0.00 0.00 -1.00 -4.87 105.19 102.14 2nrm n GLY 116 Ca 0.04 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2nrm n GLY 116 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nrm s LEU 117 N -5.21 3.64 0.00 0.99 2.96 -0.98 -4.99 118.68 115.09 2nrm s LEU 117 Ca 0.05 0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 54.54 2nrm s LEU 117 Cb -0.02 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.19 2nrm s LEU 117 CO 0.06 -1.28 0.46 -0.90 -1.32 0.00 0.00 176.35 173.37 2nrm n ASP 118 N 8.06 0.35 -0.15 3.68 5.68 -1.26 -4.49 116.55 128.42 2nrm n ASP 118 Ca 0.13 -1.36 -0.06 0.00 -0.50 0.00 0.00 54.79 53.00 2nrm n ASP 118 Cb 0.49 -0.32 0.02 0.00 -1.14 0.00 0.00 41.12 40.17 2nrm n ASP 118 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nrm h ALA 119 N -1.07 0.58 -0.64 2.12 0.00 -1.99 0.17 119.26 118.43 2nrm h ALA 119 Ca -0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2nrm h ALA 119 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2nrm h ALA 119 CO 0.14 -0.04 0.15 0.78 0.00 0.00 0.00 179.25 180.27 2nrm h GLY 120 N 0.54 1.08 1.32 0.00 0.00 -2.00 -2.18 103.07 101.84 2nrm h GLY 120 Ca 0.18 -0.66 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 2nrm h GLY 120 CO -0.08 0.62 -0.26 -1.33 0.00 0.00 0.00 176.54 175.49 2nrm h GLY 121 N 1.05 0.85 1.01 4.60 0.00 -1.72 -1.55 103.07 107.30 2nrm h GLY 121 Ca 0.20 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 2nrm h GLY 121 CO 0.00 0.68 0.37 1.46 0.00 0.00 0.00 176.54 179.05 2nrm h GLN 122 N 0.67 1.05 -0.20 4.80 4.20 -0.41 0.28 115.11 125.50 2nrm h GLN 122 Ca 0.09 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 2nrm h GLN 122 Cb 0.78 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2nrm h GLN 122 CO 0.06 0.81 -0.51 1.79 -0.67 0.00 0.00 178.83 180.31 2nrm h THR 123 N 1.03 1.31 -0.30 -0.54 1.35 -1.09 -0.16 112.91 114.51 2nrm h THR 123 Ca 0.26 -1.74 -0.01 0.00 -0.55 0.00 0.00 66.41 64.37 2nrm h THR 123 Cb 0.09 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 2nrm h THR 123 CO -0.04 0.54 0.16 0.00 -0.25 0.00 0.00 175.52 175.94 2nrm h ALA 124 N 0.99 0.38 -0.52 6.62 0.00 -0.99 -0.99 119.26 124.76 2nrm h ALA 124 Ca 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2nrm h ALA 124 Cb 1.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2nrm h ALA 124 CO 0.10 -0.09 0.13 1.25 0.00 0.00 0.00 179.25 180.64 2nrm h LEU 125 N 0.36 0.77 -1.26 0.00 5.85 -0.72 -0.67 115.31 119.64 2nrm h LEU 125 Ca 0.10 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 2nrm h LEU 125 Cb 0.06 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2nrm h LEU 125 CO -0.02 0.80 0.03 0.03 -0.34 0.00 0.00 178.44 178.94 2nrm h ARG 126 N 0.71 0.53 -0.18 1.25 3.08 -0.97 0.23 114.38 119.04 2nrm h ARG 126 Ca 0.16 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2nrm h ARG 126 Cb 0.32 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2nrm h ARG 126 CO -0.00 0.54 0.06 -0.91 -1.07 0.00 0.00 179.97 178.59 2nrm h ASN 127 N 0.52 0.26 -0.29 7.04 2.35 -0.78 0.38 115.58 125.06 2nrm h ASN 127 Ca 0.11 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2nrm h ASN 127 Cb 0.29 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2nrm h ASN 127 CO 0.01 0.39 0.17 0.58 -1.65 0.00 0.00 177.43 176.92 2nrm h VAL 128 N 0.11 1.11 -0.28 2.81 2.07 -0.78 -1.28 116.25 120.01 2nrm h VAL 128 Ca 0.06 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 2nrm h VAL 128 Cb 0.22 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2nrm h VAL 128 CO -0.00 0.10 -0.15 0.24 0.02 0.00 0.00 177.57 177.79 2nrm h MET 129 N 0.36 0.48 -0.74 1.57 2.86 -0.87 -1.20 114.93 117.40 2nrm h MET 129 Ca 0.10 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2nrm h MET 129 Cb 0.02 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2nrm h MET 129 CO -0.02 0.62 0.28 0.78 1.06 0.00 0.00 176.91 179.63 2nrm h GLY 130 N 0.93 1.20 0.97 8.32 0.00 -0.53 0.83 103.07 114.79 2nrm h GLY 130 Ca 0.08 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 2nrm h GLY 130 CO 0.03 0.63 0.17 -2.22 0.00 0.00 0.00 176.54 175.15 2nrm h ILE 131 N 1.08 1.12 -0.02 2.60 2.04 -0.74 -1.19 117.51 122.39 2nrm h ILE 131 Ca 0.25 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.82 2nrm h ILE 131 Cb 0.23 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2nrm h ILE 131 CO -0.02 0.11 -0.01 0.40 0.00 0.00 0.00 178.15 178.63 2nrm h ILE 132 N 0.37 0.96 -0.66 -0.67 2.04 -0.91 -1.56 117.51 117.08 2nrm h ILE 132 Ca 0.11 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 2nrm h ILE 132 Cb 0.03 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2nrm h ILE 132 CO -0.02 0.00 0.17 0.40 0.00 0.00 0.00 178.15 178.70 2nrm h ILE 133 N -0.01 1.26 -0.65 -0.67 2.04 -0.76 -0.27 117.51 118.44 2nrm h ILE 133 Ca 0.01 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 64.88 2nrm h ILE 133 Cb 0.04 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2nrm h ILE 133 CO -0.03 0.35 0.12 0.00 0.00 0.00 0.00 178.15 178.59 2nrm h ALA 134 N 1.07 0.98 -0.30 1.87 0.00 -1.10 0.34 119.26 122.12 2nrm h ALA 134 Ca 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2nrm h ALA 134 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2nrm h ALA 134 CO 0.00 0.65 0.16 -0.44 0.00 0.00 0.00 179.25 179.62 2nrm h ASP 135 N 1.00 0.37 -0.47 0.00 3.32 -0.85 -1.18 116.42 118.61 2nrm h ASP 135 Ca 0.20 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2nrm h ASP 135 Cb 0.40 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2nrm h ASP 135 CO 0.01 0.35 0.31 -0.07 -1.72 0.00 0.00 179.24 178.12 2nrm h LEU 136 N 0.37 0.55 -0.75 1.55 3.38 -0.76 -1.66 115.31 117.99 2nrm h LEU 136 Ca 0.11 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2nrm h LEU 136 Cb 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2nrm h LEU 136 CO -0.02 0.41 0.24 -0.08 0.09 0.00 0.00 178.44 179.09 2nrm h GLU 137 N 0.64 1.16 -0.46 1.13 4.81 -0.78 0.16 114.58 121.23 2nrm h GLU 137 Ca 0.17 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2nrm h GLU 137 Cb -0.06 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 2nrm h GLU 137 CO -0.04 0.98 0.21 0.00 -0.73 0.00 0.00 179.01 179.43 2nrm h ALA 138 N 1.13 0.60 -0.10 2.92 0.00 -0.98 -1.32 119.26 121.51 2nrm h ALA 138 Ca 0.24 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2nrm h ALA 138 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2nrm h ALA 138 CO -0.01 0.18 -0.54 -0.91 0.00 0.00 0.00 179.25 177.97 2nrm h ASN 139 N 0.61 0.32 -0.26 0.00 2.35 -0.90 -1.85 115.58 115.84 2nrm h ASN 139 Ca 0.16 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2nrm h ASN 139 Cb 0.14 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 2nrm h ASN 139 CO -0.02 0.80 0.00 1.88 -1.65 0.00 0.00 177.43 178.44 2nrm h TYR 140 N 0.22 -0.01 -0.69 1.19 -1.99 -0.49 -2.61 116.97 112.59 2nrm h TYR 140 Ca 0.00 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 2nrm h TYR 140 Cb 1.03 0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.77 2nrm h TYR 140 CO 0.02 -0.04 0.36 -0.22 -0.00 0.00 0.00 178.16 178.29 2nrm h LYS 141 N 0.08 0.96 0.00 4.88 3.64 -0.92 -0.23 116.57 124.98 2nrm h LYS 141 Ca 0.12 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2nrm h LYS 141 Cb 0.16 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2nrm h LYS 141 CO -0.21 0.72 -0.11 0.93 -2.27 0.00 0.00 179.45 178.51 2nrm h GLU 142 N 0.97 0.00 -0.01 1.90 5.08 -1.06 -0.48 114.58 120.98 2nrm h GLU 142 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2nrm h GLU 142 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2nrm h GLU 142 CO -0.04 0.11 -0.11 1.28 -1.00 0.00 0.00 179.01 179.26 2nrm n LEU 143 N -4.25 0.69 0.00 1.33 4.77 -0.52 -4.93 117.00 114.10 2nrm n LEU 143 Ca -0.03 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2nrm n LEU 143 Cb 0.19 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2nrm n LEU 143 CO 0.34 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2nrm n GLY 144 N 1.24 0.86 3.06 -0.72 0.00 -0.19 -5.04 105.19 104.41 2nrm n GLY 144 Ca 0.16 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2nrm n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nrm s PHE 145 N -2.00 3.56 -0.22 1.61 0.08 -0.21 -4.89 117.98 115.92 2nrm s PHE 145 Ca 0.00 -2.94 0.05 0.00 0.12 0.00 0.00 56.93 54.16 2nrm s PHE 145 Cb 0.00 -3.12 -0.20 0.00 -0.57 0.00 0.00 43.02 39.13 2nrm s PHE 145 CO 0.00 -0.76 -0.04 -1.13 -0.10 0.00 0.00 175.22 173.20 2nrm n SER 146 N 2.88 1.51 0.00 1.36 3.41 -1.26 -3.09 113.62 118.43 2nrm n SER 146 Ca 0.14 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2nrm n SER 146 Cb 0.37 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2nrm n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49