#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3md2 h THR 5 N 0.00 1.09 0.48 1.47 1.03 -2.02 0.57 112.91 115.53 3md2 h THR 5 Ca 0.00 -0.26 -0.02 0.00 -0.01 0.00 0.00 66.41 66.12 3md2 h THR 5 Cb 0.00 0.77 0.00 0.00 -1.07 0.00 0.00 68.15 67.85 3md2 h THR 5 CO 0.00 0.10 -0.23 -0.08 -0.01 0.00 0.00 175.52 175.31 3md2 h GLU 6 N 0.35 -0.62 -0.98 0.00 4.81 -2.04 -3.32 114.58 112.79 3md2 h GLU 6 Ca 0.09 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.61 3md2 h GLU 6 Cb 0.04 0.14 -0.18 0.00 0.63 0.00 0.00 28.75 29.38 3md2 h GLU 6 CO -0.01 -0.36 -0.08 0.28 -0.73 0.00 0.00 179.01 178.11 3md2 n VAL 7 N -5.21 -0.41 -0.04 0.32 0.31 -0.95 -2.55 118.33 109.81 3md2 n VAL 7 Ca -0.09 2.19 -0.09 0.00 -0.01 0.00 0.00 64.34 66.34 3md2 n VAL 7 Cb 0.28 -3.14 -0.02 0.00 -0.91 0.00 0.00 33.84 30.05 3md2 n VAL 7 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3md2 h GLU 8 N 0.00 -0.28 0.00 5.55 4.81 -0.99 0.12 114.58 123.78 3md2 h GLU 8 Ca 0.55 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.75 3md2 h GLU 8 Cb 1.04 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 3md2 h GLU 8 CO -0.96 -0.19 -0.24 0.00 -0.73 0.00 0.00 179.01 176.89 3md2 h THR 9 N -0.29 1.09 -0.25 0.32 1.03 -1.67 0.14 112.91 113.27 3md2 h THR 9 Ca 0.13 -0.86 -0.12 0.00 -0.01 0.00 0.00 66.41 65.55 3md2 h THR 9 Cb 0.49 1.47 -0.00 0.00 -1.07 0.00 0.00 68.15 69.04 3md2 h THR 9 CO -0.39 0.24 -0.33 1.88 -0.01 0.00 0.00 175.52 176.92 3md2 h TYR 10 N 0.00 0.82 -0.48 0.00 0.05 -1.24 -2.45 116.97 113.67 3md2 h TYR 10 Ca -0.00 -0.26 -0.01 0.00 0.05 0.00 0.00 58.73 58.50 3md2 h TYR 10 Cb 0.45 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3md2 h TYR 10 CO 0.00 1.01 0.27 0.28 -1.05 0.00 0.00 178.16 178.67 3md2 h VAL 11 N 0.39 1.17 0.00 -2.88 2.07 0.48 -2.91 116.25 114.56 3md2 h VAL 11 Ca 0.03 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 3md2 h VAL 11 Cb 0.91 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3md2 h VAL 11 CO 0.08 0.18 -0.31 -0.07 0.02 0.00 0.00 177.57 177.47 3md2 h LEU 12 N 0.64 0.00 -2.35 2.57 3.38 -0.80 -2.94 115.31 115.80 3md2 h LEU 12 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3md2 h LEU 12 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3md2 h LEU 12 CO -0.03 0.31 -0.01 0.77 0.09 0.00 0.00 178.44 179.57 3md2 h SER 13 N 0.00 0.00 -0.39 -0.43 4.64 -1.22 -1.02 113.55 115.12 3md2 h SER 13 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3md2 h SER 13 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3md2 h SER 13 CO 0.04 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.31 3md2 n ILE 14 N -3.14 0.50 -3.55 0.95 -5.35 -1.11 -4.84 119.36 102.83 3md2 n ILE 14 Ca -0.02 -0.71 -0.39 0.00 -0.27 0.00 0.00 62.75 61.36 3md2 n ILE 14 Cb 0.17 0.86 -0.11 0.00 -1.74 0.00 0.00 39.64 38.82 3md2 n ILE 14 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3md2 s ILE 15 N -1.50 5.29 -0.53 7.28 1.01 -0.39 -5.00 121.20 127.36 3md2 s ILE 15 Ca 0.39 -0.01 0.24 0.00 0.00 0.00 0.00 60.65 61.26 3md2 s ILE 15 Cb 0.22 -3.64 0.29 0.00 0.01 0.00 0.00 42.46 39.35 3md2 s ILE 15 CO 0.31 0.11 1.62 1.55 0.00 0.00 0.00 174.94 178.53 3md2 h PRO 16 N 8.43 0.00 0.00 2.79 0.13 -1.89 -3.46 132.00 137.99 3md2 h PRO 16 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3md2 h PRO 16 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3md2 h PRO 16 CO 0.60 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.82 3md2 n SER 17 N -2.78 0.00 -1.86 1.44 2.88 -1.26 -4.95 113.62 107.10 3md2 n SER 17 Ca 0.04 0.09 -0.20 0.00 -1.33 0.00 0.00 58.87 57.47 3md2 n SER 17 Cb 0.50 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.00 3md2 n SER 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3md2 n GLY 18 N -0.17 6.21 0.20 0.46 0.00 -1.26 -4.92 105.19 105.70 3md2 n GLY 18 Ca 0.00 -2.49 -0.14 0.00 0.00 0.00 0.00 46.02 43.40 3md2 n GLY 18 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3md2 h PRO 19 N 2.04 0.63 -0.67 1.61 0.11 -1.99 -2.18 132.00 131.54 3md2 h PRO 19 Ca 0.32 -0.35 0.04 0.00 0.11 0.00 0.00 66.00 66.12 3md2 h PRO 19 Cb 1.47 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.57 3md2 h PRO 19 CO 0.66 0.96 0.44 -0.07 -0.21 0.00 0.00 178.00 179.79 3md2 h LEU 20 N 0.34 0.67 -0.35 2.35 3.38 -1.97 0.15 115.31 119.88 3md2 h LEU 20 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3md2 h LEU 20 Cb 0.87 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3md2 h LEU 20 CO 0.07 0.46 0.19 0.50 0.09 0.00 0.00 178.44 179.75 3md2 h LYS 21 N 0.78 0.49 -0.40 1.13 1.63 -1.87 0.13 116.57 118.46 3md2 h LYS 21 Ca 0.27 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.95 3md2 h LYS 21 Cb 0.12 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 3md2 h LYS 21 CO -0.08 0.42 0.01 0.00 -3.45 0.00 0.00 179.45 176.34 3md2 h ALA 22 N 1.05 0.54 -0.90 5.00 0.00 -0.62 -0.30 119.26 124.04 3md2 h ALA 22 Ca 0.12 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.85 3md2 h ALA 22 Cb 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3md2 h ALA 22 CO -0.02 0.32 0.55 0.93 0.00 0.00 0.00 179.25 181.03 3md2 h GLU 23 N 0.54 0.95 -0.10 0.00 5.08 -0.52 -0.44 114.58 120.09 3md2 h GLU 23 Ca 0.12 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3md2 h GLU 23 Cb 0.47 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3md2 h GLU 23 CO 0.02 0.63 -0.22 0.82 -1.00 0.00 0.00 179.01 179.25 3md2 h ILE 24 N 0.97 1.39 -0.45 3.13 2.04 -0.37 -1.27 117.51 122.95 3md2 h ILE 24 Ca 0.40 -1.52 0.06 0.00 1.00 0.00 0.00 64.86 64.80 3md2 h ILE 24 Cb 0.25 2.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 3md2 h ILE 24 CO -0.20 0.44 0.17 0.00 0.00 0.00 0.00 178.15 178.56 3md2 h ALA 25 N 0.51 0.55 -0.44 1.87 0.00 -0.87 0.19 119.26 121.07 3md2 h ALA 25 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3md2 h ALA 25 Cb 0.82 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3md2 h ALA 25 CO 0.05 -0.21 0.11 0.37 0.00 0.00 0.00 179.25 179.57 3md2 h GLN 26 N 0.35 0.25 -0.20 0.00 4.15 -1.04 -1.85 115.11 116.78 3md2 h GLN 26 Ca 0.21 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.46 3md2 h GLN 26 Cb 0.20 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3md2 h GLN 26 CO -0.21 0.17 -0.53 0.00 -1.93 0.00 0.00 178.83 176.33 3md2 h ARG 27 N 0.26 0.57 -0.69 1.69 3.08 -0.20 -2.34 114.38 116.75 3md2 h ARG 27 Ca 0.21 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3md2 h ARG 27 Cb 0.25 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3md2 h ARG 27 CO -0.26 0.96 0.36 -0.07 -1.07 0.00 0.00 179.97 179.89 3md2 h LEU 28 N 0.45 0.88 -0.34 3.04 3.38 -0.49 -2.10 115.31 120.13 3md2 h LEU 28 Ca 0.01 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 3md2 h LEU 28 Cb 1.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3md2 h LEU 28 CO 0.10 0.74 -0.21 -0.33 0.09 0.00 0.00 178.44 178.84 3md2 h GLU 29 N 0.96 0.75 -0.04 1.13 5.08 -1.23 -0.39 114.58 120.84 3md2 h GLU 29 Ca 0.24 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 58.11 3md2 h GLU 29 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3md2 h GLU 29 CO -0.04 0.96 -0.65 0.66 -1.00 0.00 0.00 179.01 178.95 3md2 h SER 30 N 0.52 0.20 0.59 1.42 4.64 -1.41 -1.03 113.55 118.48 3md2 h SER 30 Ca 0.07 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3md2 h SER 30 Cb 0.76 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.80 3md2 h SER 30 CO 0.06 0.79 -0.28 0.58 -0.87 0.00 0.00 176.83 177.11 3md2 h VAL 31 N 0.12 0.25 -0.71 0.95 2.07 -1.34 0.30 116.25 117.89 3md2 h VAL 31 Ca -0.01 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.23 3md2 h VAL 31 Cb 1.16 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 31.17 3md2 h VAL 31 CO 0.10 0.03 -0.38 0.49 0.02 0.00 0.00 177.57 177.83 3md2 n PHE 32 N -5.33 -0.22 1.29 1.57 3.01 -0.16 0.02 117.46 117.63 3md2 n PHE 32 Ca -0.11 0.89 0.11 0.00 1.01 0.00 0.00 57.45 59.34 3md2 n PHE 32 Cb 0.34 -0.62 0.62 0.00 -0.01 0.00 0.00 39.48 39.81 3md2 n PHE 32 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3md2 n ALA 33 N -3.51 2.26 -1.58 4.37 0.00 -0.39 -4.84 120.51 116.82 3md2 n ALA 33 Ca 0.03 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 3md2 n ALA 33 Cb 0.21 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 3md2 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3md2 n GLY 34 N 0.35 0.84 0.13 0.00 0.00 0.10 -4.91 105.19 101.70 3md2 n GLY 34 Ca 0.15 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 3md2 n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3md2 h LYS 35 N 0.00 0.22 -4.81 1.61 1.57 -0.63 -3.43 116.57 111.10 3md2 h LYS 35 Ca -0.24 -0.37 -0.66 0.00 -1.87 0.00 0.00 60.65 57.51 3md2 h LYS 35 Cb 0.86 0.14 -0.18 0.00 0.08 0.00 0.00 32.23 33.13 3md2 h LYS 35 CO 0.32 1.18 -0.47 1.21 -0.57 0.00 0.00 179.45 181.12 3md2 s ASN 36 N -7.02 6.06 0.00 0.86 3.84 -0.61 -4.94 114.94 113.13 3md2 s ASN 36 Ca -0.22 -0.25 0.09 0.00 0.21 0.00 0.00 52.86 52.69 3md2 s ASN 36 Cb 0.05 -2.14 0.09 0.00 -0.55 0.00 0.00 41.25 38.70 3md2 s ASN 36 CO 0.74 -0.18 0.83 1.07 -2.79 0.00 0.00 177.10 176.77 3md2 n THR 37 N 5.10 0.12 -2.95 -5.21 5.66 -1.26 -4.32 114.28 111.43 3md2 n THR 37 Ca -0.13 -0.56 -0.44 0.00 -3.05 0.00 0.00 64.05 59.87 3md2 n THR 37 Cb 0.50 1.10 0.00 0.00 -1.55 0.00 0.00 70.33 70.38 3md2 n THR 37 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3md2 n ASP 38 N 0.47 5.25 -0.27 1.09 -0.08 -1.26 -4.83 116.55 116.91 3md2 n ASP 38 Ca 0.06 -2.99 0.09 0.00 -1.51 0.00 0.00 54.79 50.43 3md2 n ASP 38 Cb 0.24 -1.55 0.33 0.00 2.34 0.00 0.00 41.12 42.48 3md2 n ASP 38 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3md2 h LEU 39 N 9.36 0.74 0.17 -2.67 5.85 -1.99 -1.51 115.31 125.26 3md2 h LEU 39 Ca 0.31 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3md2 h LEU 39 Cb 0.86 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3md2 h LEU 39 CO 1.25 0.42 -0.08 -0.33 -0.34 0.00 0.00 178.44 179.35 3md2 h GLU 40 N 0.81 -0.23 -0.91 1.25 4.39 -1.99 0.56 114.58 118.46 3md2 h GLU 40 Ca 0.42 0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.27 3md2 h GLU 40 Cb 0.51 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.14 3md2 h GLU 40 CO -0.18 0.10 0.58 0.00 -1.16 0.00 0.00 179.01 178.35 3md2 h ALA 41 N 0.16 1.75 -0.04 3.43 0.00 -1.94 -1.13 119.26 121.49 3md2 h ALA 41 Ca -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3md2 h ALA 41 Cb 0.43 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3md2 h ALA 41 CO 0.04 0.02 -0.01 1.25 0.00 0.00 0.00 179.25 180.55 3md2 h LEU 42 N 0.77 0.07 -0.69 0.00 5.85 -0.67 -0.93 115.31 119.72 3md2 h LEU 42 Ca 0.45 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3md2 h LEU 42 Cb 0.62 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3md2 h LEU 42 CO -0.21 0.44 0.41 0.24 -0.34 0.00 0.00 178.44 178.98 3md2 h MET 43 N -0.29 0.93 -0.77 1.25 2.86 0.64 0.13 114.93 119.68 3md2 h MET 43 Ca 0.01 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3md2 h MET 43 Cb 0.40 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3md2 h MET 43 CO 0.00 0.66 0.30 0.93 1.06 0.00 0.00 176.91 179.87 3md2 h GLU 44 N 0.93 1.16 0.44 1.72 4.39 -1.24 0.18 114.58 122.16 3md2 h GLU 44 Ca 0.25 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3md2 h GLU 44 Cb -0.03 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 3md2 h GLU 44 CO -0.05 0.94 -0.21 2.35 -1.16 0.00 0.00 179.01 180.89 3md2 h TRP 45 N 1.12 -0.54 -0.48 4.33 7.01 -0.34 -2.69 115.95 124.35 3md2 h TRP 45 Ca 0.26 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.30 3md2 h TRP 45 Cb 0.22 0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.41 3md2 h TRP 45 CO 0.02 -0.33 0.21 1.25 -2.79 0.00 0.00 178.44 176.80 3md2 h LEU 46 N -0.60 0.27 -1.56 0.65 5.85 -0.61 -2.68 115.31 116.64 3md2 h LEU 46 Ca -0.06 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.82 3md2 h LEU 46 Cb 0.46 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3md2 h LEU 46 CO 0.10 0.19 0.47 0.50 -0.34 0.00 0.00 178.44 179.36 3md2 h LYS 47 N 0.42 0.46 -0.65 1.25 3.64 -0.57 -2.26 116.57 118.86 3md2 h LYS 47 Ca 0.22 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3md2 h LYS 47 Cb 0.17 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3md2 h LYS 47 CO -0.19 0.30 0.00 0.25 -2.27 0.00 0.00 179.45 177.55 3md2 n THR 48 N -4.48 1.33 -2.63 1.00 -2.24 -1.02 -4.96 114.28 101.29 3md2 n THR 48 Ca 0.13 -0.98 -0.41 0.00 -2.27 0.00 0.00 64.05 60.52 3md2 n THR 48 Cb 0.44 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 3md2 n THR 48 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3md2 s ARG 49 N -1.55 4.68 0.70 -0.78 1.81 -0.85 -5.06 118.95 117.90 3md2 s ARG 49 Ca 0.45 1.59 -0.11 0.00 -1.72 0.00 0.00 55.73 55.94 3md2 s ARG 49 Cb 0.27 -3.31 0.16 0.00 -0.45 0.00 0.00 34.95 31.62 3md2 s ARG 49 CO 0.25 0.21 0.95 -0.35 -0.68 0.00 0.00 175.30 175.68 3md2 n PRO 50 N 2.28 -0.86 0.00 3.54 -0.04 -1.26 -4.50 135.00 134.16 3md2 n PRO 50 Ca 0.01 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 3md2 n PRO 50 Cb 0.47 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 3md2 n PRO 50 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3md2 n ILE 51 N -3.27 0.00 -1.77 0.52 5.41 -1.26 -4.90 119.36 114.09 3md2 n ILE 51 Ca 0.12 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.45 3md2 n ILE 51 Cb 0.42 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.32 3md2 n ILE 51 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3md2 s LEU 52 N 0.00 4.38 0.70 1.39 1.43 -1.26 -4.98 118.68 120.34 3md2 s LEU 52 Ca 0.00 2.78 -0.15 0.00 -1.03 0.00 0.00 54.13 55.72 3md2 s LEU 52 Cb 0.00 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.65 3md2 s LEU 52 CO 0.00 -0.95 1.18 -0.94 0.23 0.00 0.00 176.35 175.87 3md2 s SER 53 N 1.63 4.52 0.26 2.29 1.04 -1.26 -4.79 113.70 117.40 3md2 s SER 53 Ca 0.76 2.27 -0.02 0.00 0.48 0.00 0.00 55.95 59.43 3md2 s SER 53 Cb -0.47 -2.58 0.48 0.00 0.10 0.00 0.00 66.02 63.55 3md2 s SER 53 CO 0.33 -2.04 1.81 -0.65 0.98 0.00 0.00 173.24 173.67 3md2 h PRO 54 N -0.10 0.79 -0.80 4.02 0.11 -1.97 -0.58 132.00 133.47 3md2 h PRO 54 Ca -0.48 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.63 3md2 h PRO 54 Cb 1.28 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 3md2 h PRO 54 CO 0.51 0.52 0.50 1.25 -0.21 0.00 0.00 178.00 180.58 3md2 h LEU 55 N 0.81 0.82 -0.51 2.35 6.46 -1.91 -0.81 115.31 122.53 3md2 h LEU 55 Ca 0.44 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 58.07 3md2 h LEU 55 Cb 0.47 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3md2 h LEU 55 CO -0.28 0.55 -0.32 0.74 -0.62 0.00 0.00 178.44 178.51 3md2 h THR 56 N 0.96 1.27 -0.78 1.05 2.02 -1.50 -1.01 112.91 114.93 3md2 h THR 56 Ca 0.33 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 66.04 3md2 h THR 56 Cb 0.06 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3md2 h THR 56 CO -0.13 0.50 0.51 0.11 0.37 0.00 0.00 175.52 176.88 3md2 h LYS 57 N 0.74 1.01 -0.53 6.66 1.57 -0.86 -1.06 116.57 124.09 3md2 h LYS 57 Ca 0.08 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3md2 h LYS 57 Cb 0.88 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3md2 h LYS 57 CO 0.08 0.67 0.02 0.78 -0.57 0.00 0.00 179.45 180.42 3md2 h GLY 58 N 1.04 0.95 0.91 3.86 0.00 -0.77 0.25 103.07 109.31 3md2 h GLY 58 Ca 0.29 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 3md2 h GLY 58 CO -0.07 0.60 -0.09 -2.22 0.00 0.00 0.00 176.54 174.76 3md2 h ILE 59 N 0.82 1.28 -0.52 2.60 2.04 -0.94 -0.92 117.51 121.87 3md2 h ILE 59 Ca 0.16 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 3md2 h ILE 59 Cb 0.47 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3md2 h ILE 59 CO 0.02 0.37 0.14 -0.07 0.00 0.00 0.00 178.15 178.61 3md2 h LEU 60 N 0.39 0.78 -0.86 1.44 3.38 -0.93 -0.54 115.31 118.97 3md2 h LEU 60 Ca 0.08 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.91 3md2 h LEU 60 Cb 0.59 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3md2 h LEU 60 CO 0.03 0.80 0.52 1.23 0.09 0.00 0.00 178.44 181.11 3md2 h GLY 61 N 0.72 1.33 0.83 0.83 0.00 -0.38 0.81 103.07 107.21 3md2 h GLY 61 Ca 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3md2 h GLY 61 CO -0.00 0.19 -0.09 -2.75 0.00 0.00 0.00 176.54 173.89 3md2 h PHE 62 N 0.90 -0.23 -0.54 5.60 3.04 -0.78 -0.61 116.94 124.33 3md2 h PHE 62 Ca 0.40 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.43 3md2 h PHE 62 Cb 0.29 0.08 -0.07 0.00 2.56 0.00 0.00 35.95 38.81 3md2 h PHE 62 CO -0.04 -0.01 0.15 0.28 -2.02 0.00 0.00 178.31 176.67 3md2 h VAL 63 N -0.42 0.74 -0.32 1.41 2.07 -0.52 -0.57 116.25 118.64 3md2 h VAL 63 Ca -0.03 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3md2 h VAL 63 Cb 0.32 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3md2 h VAL 63 CO 0.04 0.05 0.10 -0.26 0.02 0.00 0.00 177.57 177.53 3md2 h PHE 64 N 0.30 0.51 -0.37 1.57 0.04 -0.77 0.14 116.94 118.36 3md2 h PHE 64 Ca 0.27 -0.05 0.09 0.00 2.80 0.00 0.00 57.97 61.08 3md2 h PHE 64 Cb 0.35 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 3md2 h PHE 64 CO -0.20 0.51 0.26 1.15 -0.60 0.00 0.00 178.31 179.43 3md2 h THR 65 N 0.35 0.85 0.01 -1.55 2.02 -0.72 -2.50 112.91 111.37 3md2 h THR 65 Ca 0.10 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 3md2 h THR 65 Cb 0.24 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3md2 h THR 65 CO -0.00 0.01 -0.14 0.25 0.37 0.00 0.00 175.52 176.01 3md2 h LEU 66 N 0.08 0.11 -0.57 2.58 5.85 -0.04 -3.51 115.31 119.81 3md2 h LEU 66 Ca 0.17 -0.83 0.00 0.00 0.84 0.00 0.00 57.88 58.06 3md2 h LEU 66 Cb 0.60 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3md2 h LEU 66 CO -0.01 0.93 0.00 0.71 -0.34 0.00 0.00 178.44 179.72 3md2 h THR 67 N -0.69 0.00 0.00 1.05 1.35 -0.31 -3.51 112.91 110.80 3md2 h THR 67 Ca -0.02 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3md2 h THR 67 Cb 0.95 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3md2 h THR 67 CO 0.03 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.84 3md2 n ARG 77 N -2.88 0.00 -0.27 4.72 5.12 -1.26 -4.99 116.66 117.09 3md2 n ARG 77 Ca 0.03 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.89 3md2 n ARG 77 Cb 0.41 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.76 3md2 n ARG 77 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 3md2 h ARG 78 N 0.00 1.12 0.00 5.56 9.65 -2.05 -1.64 114.38 127.02 3md2 h ARG 78 Ca 0.00 -0.20 -0.04 0.00 -1.10 0.00 0.00 59.98 58.64 3md2 h ARG 78 Cb 0.00 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 3md2 h ARG 78 CO 0.00 0.91 -0.17 0.27 2.80 0.00 0.00 179.97 183.78 3md2 h PHE 79 N 1.08 0.00 0.02 2.20 -0.00 -2.02 0.13 116.94 118.35 3md2 h PHE 79 Ca 0.25 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.18 3md2 h PHE 79 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.16 3md2 h PHE 79 CO 0.02 0.17 -0.15 0.28 -0.00 0.00 0.00 178.31 178.63 3md2 h VAL 80 N 0.00 1.69 -0.47 0.88 2.07 -1.80 -2.62 116.25 116.01 3md2 h VAL 80 Ca -0.00 -2.23 0.05 0.00 0.82 0.00 0.00 66.70 65.34 3md2 h VAL 80 Cb 0.41 3.19 -0.05 0.00 -1.52 0.00 0.00 31.29 33.32 3md2 h VAL 80 CO 0.02 0.59 0.19 1.56 0.02 0.00 0.00 177.57 179.95 3md2 h GLN 81 N -0.80 0.37 -0.33 1.57 4.20 -1.04 -0.69 115.11 118.38 3md2 h GLN 81 Ca -0.02 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 3md2 h GLN 81 Cb 1.06 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 3md2 h GLN 81 CO 0.03 0.24 -0.37 -0.91 -0.67 0.00 0.00 178.83 177.15 3md2 h ASN 82 N 0.38 0.81 -0.20 1.46 2.35 -1.10 -2.09 115.58 117.19 3md2 h ASN 82 Ca 0.22 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3md2 h ASN 82 Cb 0.19 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3md2 h ASN 82 CO -0.20 1.09 0.07 0.00 -1.65 0.00 0.00 177.43 176.74 3md2 h ALA 83 N 0.95 0.26 -0.41 -0.83 0.00 -1.04 -2.90 119.26 115.29 3md2 h ALA 83 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3md2 h ALA 83 Cb 0.91 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3md2 h ALA 83 CO 0.08 -0.12 0.03 -0.07 0.00 0.00 0.00 179.25 179.17 3md2 h LEU 84 N 0.15 0.60 -9.88 0.00 3.38 -1.08 -3.42 115.31 105.06 3md2 h LEU 84 Ca 0.06 -0.11 -0.49 0.00 0.09 0.00 0.00 57.88 57.43 3md2 h LEU 84 Cb 0.22 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.83 3md2 h LEU 84 CO -0.00 0.64 0.44 0.20 0.09 0.00 0.00 178.44 179.81 3md2 s ASN 85 N -6.68 7.05 0.00 -0.43 0.01 -0.79 -3.33 114.94 110.76 3md2 s ASN 85 Ca -0.08 2.14 0.00 0.00 -0.71 0.00 0.00 52.86 54.21 3md2 s ASN 85 Cb 0.15 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 39.21 3md2 s ASN 85 CO 0.78 -0.29 0.00 -0.67 -1.51 0.00 0.00 177.10 175.41 3md2 n ASP 89 N 0.61 0.00 -0.12 -1.22 -0.08 -1.26 -4.97 116.55 109.50 3md2 n ASP 89 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 3md2 n ASP 89 Cb 0.47 0.05 0.27 0.00 2.34 0.00 0.00 41.12 44.26 3md2 n ASP 89 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3md2 h PRO 90 N 0.00 0.80 -0.60 -0.67 0.11 -2.03 0.23 132.00 129.83 3md2 h PRO 90 Ca 0.00 -0.09 0.04 0.00 0.11 0.00 0.00 66.00 66.06 3md2 h PRO 90 Cb 0.00 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 30.91 3md2 h PRO 90 CO 0.00 0.61 0.35 -0.91 -0.21 0.00 0.00 178.00 177.84 3md2 h ASN 91 N 0.81 0.55 -0.46 -2.05 2.35 -2.03 0.34 115.58 115.09 3md2 h ASN 91 Ca 0.20 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3md2 h ASN 91 Cb 0.05 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3md2 h ASN 91 CO -0.03 0.38 0.08 0.78 -1.65 0.00 0.00 177.43 176.98 3md2 h ASN 92 N 0.68 0.78 -0.38 5.81 2.35 -1.73 -1.35 115.58 121.74 3md2 h ASN 92 Ca 0.25 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 3md2 h ASN 92 Cb 0.08 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3md2 h ASN 92 CO -0.13 0.80 -0.33 0.24 -1.65 0.00 0.00 177.43 176.36 3md2 h MET 93 N 0.79 0.90 0.08 0.81 2.86 0.07 0.10 114.93 120.54 3md2 h MET 93 Ca 0.17 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3md2 h MET 93 Cb 0.36 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3md2 h MET 93 CO 0.01 1.11 -0.04 0.22 1.06 0.00 0.00 176.91 179.27 3md2 h ASP 94 N 0.71 -0.09 -0.87 1.22 1.82 -0.20 -2.14 116.42 116.87 3md2 h ASP 94 Ca 0.07 -0.15 0.05 0.00 -0.39 0.00 0.00 57.03 56.61 3md2 h ASP 94 Cb 0.92 0.02 -0.06 0.00 0.68 0.00 0.00 39.33 40.89 3md2 h ASP 94 CO 0.08 0.10 0.55 0.03 -1.61 0.00 0.00 179.24 178.39 3md2 h ARG 95 N -0.28 1.01 -0.61 0.28 3.08 -1.24 -2.17 114.38 114.46 3md2 h ARG 95 Ca -0.01 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.06 3md2 h ARG 95 Cb 0.23 -0.23 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 3md2 h ARG 95 CO 0.02 0.67 0.25 0.00 -1.07 0.00 0.00 179.97 179.84 3md2 h ALA 96 N 1.39 0.80 -0.83 0.04 0.00 -0.73 0.17 119.26 120.09 3md2 h ALA 96 Ca 0.37 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3md2 h ALA 96 Cb 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3md2 h ALA 96 CO -0.15 -0.15 0.50 0.28 0.00 0.00 0.00 179.25 179.73 3md2 h VAL 97 N 0.46 1.23 -0.58 0.00 2.07 -0.79 0.82 116.25 119.45 3md2 h VAL 97 Ca 0.30 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 3md2 h VAL 97 Cb 0.34 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3md2 h VAL 97 CO -0.28 0.24 0.09 0.11 0.02 0.00 0.00 177.57 177.75 3md2 h LYS 98 N 1.14 0.94 -0.51 1.57 1.57 -0.65 -1.01 116.57 119.62 3md2 h LYS 98 Ca 0.30 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3md2 h LYS 98 Cb -0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3md2 h LYS 98 CO -0.06 0.88 -0.16 1.25 -0.57 0.00 0.00 179.45 180.79 3md2 h LEU 99 N 0.89 1.02 -0.80 2.94 5.85 -0.13 -3.14 115.31 121.93 3md2 h LEU 99 Ca 0.18 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 3md2 h LEU 99 Cb 0.40 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3md2 h LEU 99 CO 0.01 1.15 0.27 0.22 -0.34 0.00 0.00 178.44 179.76 3md2 h TYR 100 N 0.88 1.19 -0.58 1.25 3.20 -0.46 -0.61 116.97 121.84 3md2 h TYR 100 Ca 0.13 -0.10 0.11 0.00 3.14 0.00 0.00 58.73 62.01 3md2 h TYR 100 Cb 0.73 -0.35 -0.09 0.00 1.54 0.00 0.00 36.73 38.56 3md2 h TYR 100 CO 0.05 0.92 0.08 0.87 -1.64 0.00 0.00 178.16 178.43 3md2 h LYS 101 N 1.13 0.19 -0.31 1.82 1.57 -1.16 -1.24 116.57 118.57 3md2 h LYS 101 Ca 0.25 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.96 3md2 h LYS 101 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3md2 h LYS 101 CO -0.01 0.13 -0.05 0.87 -0.57 0.00 0.00 179.45 179.81 3md2 h LYS 102 N 0.20 0.58 0.00 3.15 1.57 -1.24 -3.21 116.57 117.61 3md2 h LYS 102 Ca 0.31 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3md2 h LYS 102 Cb 0.47 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3md2 h LYS 102 CO -0.43 0.76 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.87 3md2 h LEU 103 N 0.36 0.00 -2.52 2.94 3.38 -0.57 0.11 115.31 119.01 3md2 h LEU 103 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3md2 h LEU 103 Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3md2 h LEU 103 CO 0.03 0.26 -0.02 0.11 0.09 0.00 0.00 178.44 178.91 3md2 h LYS 104 N 0.00 0.00 -0.49 1.13 1.57 -1.25 -1.01 116.57 116.52 3md2 h LYS 104 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3md2 h LYS 104 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3md2 h LYS 104 CO 0.03 0.02 0.00 0.54 -0.57 0.00 0.00 179.45 179.47 3md2 n ARG 105 N -3.33 2.58 -3.79 3.15 1.74 0.36 -4.94 116.66 112.43 3md2 n ARG 105 Ca -0.02 -2.29 -0.36 0.00 -0.77 0.00 0.00 57.85 54.40 3md2 n ARG 105 Cb 0.13 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.03 3md2 n ARG 105 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3md2 s GLU 106 N -1.11 4.00 -0.03 5.56 0.41 -0.39 -4.97 118.70 122.18 3md2 s GLU 106 Ca 0.36 -0.32 0.15 0.00 -0.41 0.00 0.00 54.97 54.75 3md2 s GLU 106 Cb 0.20 -3.40 -0.22 0.00 -1.78 0.00 0.00 34.13 28.93 3md2 s GLU 106 CO 0.26 0.12 0.30 1.51 -0.49 0.00 0.00 175.26 176.96 3md2 n ILE 107 N 4.06 0.07 -4.16 -1.63 0.00 -1.26 -4.57 119.36 111.87 3md2 n ILE 107 Ca -0.16 -0.35 -0.23 0.00 0.00 0.00 0.00 62.75 62.01 3md2 n ILE 107 Cb 0.52 0.10 -0.05 0.00 0.00 0.00 0.00 39.64 40.21 3md2 n ILE 107 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3md2 s THR 108 N -2.96 4.17 0.02 9.51 -4.23 -1.26 -4.69 115.64 116.19 3md2 s THR 108 Ca -0.05 -1.52 -0.25 0.00 -1.18 0.00 0.00 61.69 58.68 3md2 s THR 108 Cb 0.09 -3.24 -0.18 0.00 1.34 0.00 0.00 72.50 70.52 3md2 s THR 108 CO 0.61 -0.34 1.39 0.15 -0.54 0.00 0.00 174.62 175.89 3md2 h PHE 109 N 1.67 -0.13 -0.52 3.99 3.57 -1.95 -2.69 116.94 120.89 3md2 h PHE 109 Ca -0.47 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 60.90 3md2 h PHE 109 Cb 1.24 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 3md2 h PHE 109 CO 0.59 0.18 -0.15 0.45 -2.23 0.00 0.00 178.31 177.15 3md2 h HIS 110 N -0.44 1.13 -0.42 0.41 3.86 -1.97 0.13 115.15 117.85 3md2 h HIS 110 Ca -0.01 -0.25 0.07 0.00 -1.16 0.00 0.00 60.37 59.01 3md2 h HIS 110 Cb 0.37 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 28.50 3md2 h HIS 110 CO 0.03 1.07 0.09 0.78 0.86 0.00 0.00 177.93 180.75 3md2 h GLY 111 N 0.92 0.50 0.89 2.45 0.00 -1.99 0.12 103.07 105.96 3md2 h GLY 111 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3md2 h GLY 111 CO 0.06 -0.04 0.09 0.00 0.00 0.00 0.00 176.54 176.64 3md2 h ALA 112 N 1.32 0.34 -0.49 3.60 0.00 -1.11 -2.50 119.26 120.42 3md2 h ALA 112 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3md2 h ALA 112 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3md2 h ALA 112 CO -0.27 -0.04 0.25 -0.22 0.00 0.00 0.00 179.25 178.98 3md2 h LYS 113 N 0.26 0.70 -0.58 0.00 3.64 -0.35 -1.66 116.57 118.58 3md2 h LYS 113 Ca 0.08 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 3md2 h LYS 113 Cb 0.23 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3md2 h LYS 113 CO -0.00 0.57 -0.03 0.93 -2.27 0.00 0.00 179.45 178.65 3md2 h GLU 114 N 0.65 1.03 -0.35 1.90 5.08 -0.74 -2.09 114.58 120.07 3md2 h GLU 114 Ca 0.17 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3md2 h GLU 114 Cb 0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3md2 h GLU 114 CO -0.02 1.02 0.04 0.28 -1.00 0.00 0.00 179.01 179.32 3md2 h VAL 115 N 0.94 1.25 -0.40 3.13 2.07 -1.32 -3.24 116.25 118.67 3md2 h VAL 115 Ca 0.16 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 3md2 h VAL 115 Cb 0.58 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3md2 h VAL 115 CO 0.03 0.30 0.04 0.28 0.02 0.00 0.00 177.57 178.24 3md2 h SER 116 N 0.42 0.57 0.16 0.57 0.02 -1.08 -2.31 113.55 111.90 3md2 h SER 116 Ca 0.10 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3md2 h SER 116 Cb 0.39 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3md2 h SER 116 CO 0.01 0.62 0.00 -0.07 -1.14 0.00 0.00 176.83 176.25 3md2 h LEU 117 N 0.59 0.00 -0.36 5.07 3.38 -1.41 -0.06 115.31 122.53 3md2 h LEU 117 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3md2 h LEU 117 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3md2 h LEU 117 CO 0.01 0.00 -0.03 -1.54 0.09 0.00 0.00 178.44 176.97 3md2 n SER 118 N -2.34 0.58 -4.70 -0.43 3.41 -0.87 -4.86 113.62 104.42 3md2 n SER 118 Ca -0.01 -1.02 -0.23 0.00 -0.26 0.00 0.00 58.87 57.36 3md2 n SER 118 Cb 0.08 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 3md2 n SER 118 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3md2 s TYR 119 N -2.14 2.81 0.53 7.33 1.51 -0.04 -5.11 117.35 122.25 3md2 s TYR 119 Ca 0.39 -0.19 -0.15 0.00 -1.01 0.00 0.00 57.07 56.11 3md2 s TYR 119 Cb 0.21 -1.26 -0.07 0.00 -0.11 0.00 0.00 41.96 40.73 3md2 s TYR 119 CO 0.39 0.59 0.98 -1.54 -1.11 0.00 0.00 175.55 174.86 3md2 s SER 120 N -3.73 6.52 0.28 2.29 1.04 -1.26 -4.83 113.70 114.01 3md2 s SER 120 Ca 0.32 1.51 0.01 0.00 0.48 0.00 0.00 55.95 58.27 3md2 s SER 120 Cb -0.07 -2.49 0.64 0.00 0.10 0.00 0.00 66.02 64.20 3md2 s SER 120 CO 0.21 -0.65 1.71 0.74 0.98 0.00 0.00 173.24 176.24 3md2 h THR 121 N 0.62 0.55 -0.87 2.02 2.02 -1.95 0.14 112.91 115.44 3md2 h THR 121 Ca -0.46 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3md2 h THR 121 Cb 1.19 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 3md2 h THR 121 CO 0.62 0.08 0.51 1.23 0.37 0.00 0.00 175.52 178.33 3md2 h GLY 122 N 0.44 1.28 1.13 2.16 0.00 -1.97 -0.41 103.07 105.71 3md2 h GLY 122 Ca 0.51 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 3md2 h GLY 122 CO -0.48 0.53 -0.31 0.00 0.00 0.00 0.00 176.54 176.29 3md2 h ALA 123 N 1.27 0.63 -0.48 3.60 0.00 -1.02 -2.33 119.26 120.93 3md2 h ALA 123 Ca 0.31 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3md2 h ALA 123 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3md2 h ALA 123 CO -0.06 0.68 0.15 -0.07 0.00 0.00 0.00 179.25 179.95 3md2 h LEU 124 N 0.82 0.71 -0.17 0.00 3.38 -0.80 0.85 115.31 120.10 3md2 h LEU 124 Ca 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3md2 h LEU 124 Cb 0.90 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3md2 h LEU 124 CO 0.08 0.73 0.08 0.00 0.09 0.00 0.00 178.44 179.42 3md2 h ALA 125 N 1.01 0.22 -0.57 1.53 0.00 -1.08 -0.53 119.26 119.83 3md2 h ALA 125 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3md2 h ALA 125 Cb 0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3md2 h ALA 125 CO -0.00 -0.23 0.33 0.77 0.00 0.00 0.00 179.25 180.12 3md2 h SER 126 N 0.15 0.68 -0.34 0.00 0.02 -1.27 -0.60 113.55 112.18 3md2 h SER 126 Ca 0.06 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3md2 h SER 126 Cb 0.11 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3md2 h SER 126 CO -0.01 0.53 -0.21 0.00 -1.14 0.00 0.00 176.83 176.00 3md2 h MET 128 N 0.72 0.96 -0.29 0.00 2.86 -0.44 -2.12 114.93 116.61 3md2 h MET 128 Ca 0.10 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3md2 h MET 128 Cb 0.73 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 3md2 h MET 128 CO 0.06 0.73 0.19 0.78 1.06 0.00 0.00 176.91 179.73 3md2 h GLY 129 N 1.02 0.41 0.59 8.32 0.00 -0.26 0.18 103.07 113.33 3md2 h GLY 129 Ca 0.24 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.47 3md2 h GLY 129 CO -0.03 0.15 0.19 1.41 0.00 0.00 0.00 176.54 178.27 3md2 h LEU 130 N 0.38 0.22 -0.54 3.11 3.38 -0.63 -2.77 115.31 118.47 3md2 h LEU 130 Ca 0.11 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 3md2 h LEU 130 Cb -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3md2 h LEU 130 CO -0.02 0.16 -0.54 0.40 0.09 0.00 0.00 178.44 178.53 3md2 h ILE 131 N 0.38 1.32 0.00 1.22 2.04 -1.14 -2.72 117.51 118.62 3md2 h ILE 131 Ca 0.23 -1.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 3md2 h ILE 131 Cb 0.22 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3md2 h ILE 131 CO -0.22 0.55 -0.04 0.22 0.00 0.00 0.00 178.15 178.67 3md2 h TYR 132 N 0.41 0.00 -0.01 1.37 3.20 -0.69 0.28 116.97 121.53 3md2 h TYR 132 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3md2 h TYR 132 Cb 1.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.35 3md2 h TYR 132 CO 0.04 0.04 -0.39 0.09 -1.64 0.00 0.00 178.16 176.30 3md2 n ASN 133 N -3.66 1.18 -2.98 -2.11 3.02 -1.09 -4.52 115.26 105.10 3md2 n ASN 133 Ca -0.02 -0.95 -0.15 0.00 -0.03 0.00 0.00 54.58 53.43 3md2 n ASN 133 Cb 0.14 0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.59 3md2 n ASN 133 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3md2 n ARG 134 N -0.69 1.06 -1.82 3.52 1.74 0.86 -5.10 116.66 116.23 3md2 n ARG 134 Ca 0.10 -3.34 -0.42 0.00 -0.77 0.00 0.00 57.85 53.42 3md2 n ARG 134 Cb 0.37 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3md2 n ARG 134 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3md2 s MET 135 N -2.70 4.16 0.00 5.56 -1.94 -0.56 -2.37 119.30 121.45 3md2 s MET 135 Ca 0.35 2.50 0.00 0.00 -1.71 0.00 0.00 55.69 56.84 3md2 s MET 135 Cb 0.39 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 34.15 3md2 s MET 135 CO -0.03 -0.65 0.00 0.41 -0.01 0.00 0.00 175.02 174.73 3md2 n GLY 136 N 3.30 0.45 0.15 -0.03 0.00 -1.26 -4.95 105.19 102.85 3md2 n GLY 136 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 3md2 n GLY 136 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3md2 h THR 137 N 0.00 0.00 -3.83 2.61 1.35 -1.83 -3.45 112.91 107.76 3md2 h THR 137 Ca 0.00 -1.00 -0.40 0.00 -0.55 0.00 0.00 66.41 64.46 3md2 h THR 137 Cb 0.00 1.65 -0.20 0.00 -1.73 0.00 0.00 68.15 67.87 3md2 h THR 137 CO 0.00 0.00 -0.77 0.68 -0.25 0.00 0.00 175.52 175.18 3md2 s VAL 138 N -3.32 1.14 0.86 6.82 -7.23 -1.26 -4.63 120.40 112.78 3md2 s VAL 138 Ca 0.02 -1.45 -0.11 0.00 -1.81 0.00 0.00 61.98 58.63 3md2 s VAL 138 Cb 0.08 -1.22 0.11 0.00 0.56 0.00 0.00 36.38 35.91 3md2 s VAL 138 CO 0.75 -0.31 1.09 0.42 -0.31 0.00 0.00 175.10 176.74 3md2 s THR 139 N -1.63 2.82 0.30 5.32 -4.23 -1.26 -4.82 115.64 112.15 3md2 s THR 139 Ca 0.02 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.80 3md2 s THR 139 Cb -0.08 -2.69 0.16 0.00 1.34 0.00 0.00 72.50 71.22 3md2 s THR 139 CO 0.02 -0.35 1.85 0.74 -0.54 0.00 0.00 174.62 176.34 3md2 h THR 140 N -1.47 1.21 -0.56 3.99 2.02 -1.96 -1.09 112.91 115.06 3md2 h THR 140 Ca -0.47 -0.80 -0.06 0.00 0.77 0.00 0.00 66.41 65.86 3md2 h THR 140 Cb 1.26 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 3md2 h THR 140 CO 0.52 0.29 0.13 -0.33 0.37 0.00 0.00 175.52 176.50 3md2 h GLU 141 N 0.68 0.90 -0.38 6.66 3.07 -1.92 0.84 114.58 124.43 3md2 h GLU 141 Ca 0.15 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 3md2 h GLU 141 Cb 0.31 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 3md2 h GLU 141 CO 0.00 0.84 0.21 0.00 -1.40 0.00 0.00 179.01 178.67 3md2 h ALA 142 N 1.02 0.49 -0.63 3.43 0.00 -1.64 0.00 119.26 121.92 3md2 h ALA 142 Ca 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3md2 h ALA 142 Cb 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3md2 h ALA 142 CO 0.00 0.00 0.29 0.00 0.00 0.00 0.00 179.25 179.55 3md2 h ALA 143 N 1.08 0.82 -0.63 0.00 0.00 -0.80 -1.75 119.26 117.97 3md2 h ALA 143 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3md2 h ALA 143 Cb 0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3md2 h ALA 143 CO -0.02 0.40 0.40 0.74 0.00 0.00 0.00 179.25 180.76 3md2 h PHE 144 N 0.88 0.82 -0.78 0.00 0.04 -0.63 -1.80 116.94 115.46 3md2 h PHE 144 Ca 0.22 0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.06 3md2 h PHE 144 Cb 0.14 -0.27 -0.06 0.00 2.20 0.00 0.00 35.95 37.95 3md2 h PHE 144 CO 0.00 0.54 0.46 0.78 -0.60 0.00 0.00 178.31 179.49 3md2 h GLY 145 N 0.86 1.18 0.95 -1.45 0.00 -0.42 -0.44 103.07 103.74 3md2 h GLY 145 Ca 0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3md2 h GLY 145 CO -0.05 0.18 0.07 -2.00 0.00 0.00 0.00 176.54 174.75 3md2 h LEU 146 N 0.81 0.66 -0.41 3.11 5.85 -1.12 -1.64 115.31 122.57 3md2 h LEU 146 Ca 0.36 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3md2 h LEU 146 Cb 0.24 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3md2 h LEU 146 CO -0.20 0.75 0.16 0.58 -0.34 0.00 0.00 178.44 179.39 3md2 h VAL 147 N 0.55 0.90 -0.53 1.05 2.07 -0.79 -0.97 116.25 118.53 3md2 h VAL 147 Ca 0.13 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3md2 h VAL 147 Cb 0.36 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3md2 h VAL 147 CO 0.01 0.06 0.34 0.00 0.02 0.00 0.00 177.57 178.00 3md2 h ALA 149 N 1.21 0.54 -0.19 0.00 0.00 -0.97 -0.98 119.26 118.87 3md2 h ALA 149 Ca 0.20 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3md2 h ALA 149 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3md2 h ALA 149 CO -0.06 0.29 0.04 1.15 0.00 0.00 0.00 179.25 180.67 3md2 h THR 150 N 0.52 0.91 -0.63 0.00 2.02 -0.94 -0.48 112.91 114.32 3md2 h THR 150 Ca 0.12 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 3md2 h THR 150 Cb 0.44 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3md2 h THR 150 CO 0.02 0.02 0.28 0.00 0.37 0.00 0.00 175.52 176.20 3md2 h GLU 152 N 0.87 0.58 -0.71 0.00 4.81 -0.72 0.85 114.58 120.26 3md2 h GLU 152 Ca 0.21 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3md2 h GLU 152 Cb 0.16 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3md2 h GLU 152 CO -0.02 0.47 0.31 1.96 -0.73 0.00 0.00 179.01 181.00 3md2 h GLN 153 N 0.54 1.04 -0.17 1.92 4.20 -0.88 -1.24 115.11 120.53 3md2 h GLN 153 Ca 0.15 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3md2 h GLN 153 Cb 0.06 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3md2 h GLN 153 CO -0.02 0.84 0.10 0.82 -0.67 0.00 0.00 178.83 179.90 3md2 h ILE 154 N 1.00 1.07 -0.49 2.54 2.04 -0.74 -2.64 117.51 120.30 3md2 h ILE 154 Ca 0.24 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3md2 h ILE 154 Cb 0.17 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3md2 h ILE 154 CO -0.02 0.07 0.32 0.00 0.00 0.00 0.00 178.15 178.52 3md2 h ALA 155 N 1.02 1.66 0.00 1.87 0.00 -0.63 -2.67 119.26 120.51 3md2 h ALA 155 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3md2 h ALA 155 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3md2 h ALA 155 CO -0.01 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.31 3md2 n ASP 156 N -4.46 1.74 0.00 0.00 9.92 -0.48 -5.08 116.55 118.18 3md2 n ASP 156 Ca 0.04 -1.80 0.00 0.00 -0.53 0.00 0.00 54.79 52.51 3md2 n ASP 156 Cb 0.06 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 3md2 n ASP 156 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79