#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mtj s VAL 1 N 0.00 -0.18 0.44 3.17 1.01 -1.26 -5.07 120.40 118.51 1mtj s VAL 1 Ca 0.00 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 1mtj s VAL 1 Cb 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 36.38 35.95 1mtj s VAL 1 CO 0.00 0.10 0.88 -0.76 0.00 0.00 0.00 175.10 175.32 1mtj s LEU 2 N 1.74 3.81 0.74 3.92 1.02 -1.26 -5.09 118.68 123.57 1mtj s LEU 2 Ca -0.04 1.43 -0.12 0.00 0.02 0.00 0.00 54.13 55.43 1mtj s LEU 2 Cb -0.11 -4.32 0.04 0.00 0.02 0.00 0.00 46.19 41.81 1mtj s LEU 2 CO -0.07 -0.43 1.12 -0.94 0.02 0.00 0.00 176.35 176.05 1mtj s SER 3 N -2.78 5.14 0.25 2.29 1.04 -1.26 -4.91 113.70 113.48 1mtj s SER 3 Ca 0.57 1.02 -0.05 0.00 0.48 0.00 0.00 55.95 57.97 1mtj s SER 3 Cb -0.10 -1.72 0.32 0.00 0.10 0.00 0.00 66.02 64.62 1mtj s SER 3 CO 0.25 -1.53 1.90 -0.08 0.98 0.00 0.00 173.24 174.77 1mtj h GLU 4 N -0.79 1.22 -0.83 4.02 4.57 -1.99 -1.73 114.58 119.05 1mtj h GLU 4 Ca -0.45 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 1mtj h GLU 4 Cb 1.28 -0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 29.55 1mtj h GLU 4 CO 0.65 0.81 0.47 0.78 -1.18 0.00 0.00 179.01 180.54 1mtj h GLY 5 N 1.25 1.21 0.92 1.92 0.00 -1.99 0.50 103.07 106.88 1mtj h GLY 5 Ca 0.39 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1mtj h GLY 5 CO -0.12 0.50 -0.12 0.83 0.00 0.00 0.00 176.54 177.63 1mtj h GLU 6 N 1.14 0.63 -0.91 4.80 5.08 -1.79 -2.15 114.58 121.39 1mtj h GLU 6 Ca 0.29 -0.26 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1mtj h GLU 6 Cb -0.01 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 1mtj h GLU 6 CO -0.05 0.84 0.56 -1.49 -1.00 0.00 0.00 179.01 177.87 1mtj h TRP 7 N 0.40 1.04 -0.78 4.33 -0.00 -1.02 -1.55 115.95 118.36 1mtj h TRP 7 Ca 0.07 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.97 1mtj h TRP 7 Cb 0.63 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 29.43 1mtj h TRP 7 CO 0.06 0.49 0.38 1.96 -0.00 0.00 0.00 178.44 181.33 1mtj h GLN 8 N 0.98 1.12 -0.78 0.49 1.08 -0.70 0.95 115.11 118.25 1mtj h GLN 8 Ca 0.42 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.44 1mtj h GLN 8 Cb 0.27 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.46 1mtj h GLN 8 CO -0.21 0.86 0.42 -0.07 -0.95 0.00 0.00 178.83 178.89 1mtj h LEU 9 N 1.10 0.98 -0.12 1.46 3.38 -0.85 0.39 115.31 121.65 1mtj h LEU 9 Ca 0.27 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1mtj h LEU 9 Cb 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1mtj h LEU 9 CO -0.04 0.80 0.00 0.58 0.09 0.00 0.00 178.44 179.88 1mtj h VAL 10 N 1.08 1.25 0.00 1.22 2.07 -0.91 -2.87 116.25 118.10 1mtj h VAL 10 Ca 0.27 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1mtj h VAL 10 Cb 0.04 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1mtj h VAL 10 CO -0.04 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.71 1mtj h LEU 11 N -0.06 0.00 -0.13 2.57 3.38 -0.72 -1.66 115.31 118.69 1mtj h LEU 11 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1mtj h LEU 11 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1mtj h LEU 11 CO 0.01 0.00 -0.22 -0.74 0.09 0.00 0.00 178.44 177.57 1mtj h HIS 12 N 0.00 0.48 0.00 1.13 2.76 -0.90 -1.70 115.15 116.92 1mtj h HIS 12 Ca 0.00 -0.17 -0.12 0.00 -2.20 0.00 0.00 60.37 57.88 1mtj h HIS 12 Cb 0.82 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 1mtj h HIS 12 CO 0.00 0.84 -0.59 -0.24 -1.30 0.00 0.00 177.93 176.64 1mtj h VAL 13 N -0.02 1.22 -0.32 5.26 3.04 -1.38 -3.05 116.25 121.00 1mtj h VAL 13 Ca 0.01 -2.19 -0.07 0.00 -1.01 0.00 0.00 66.70 63.45 1mtj h VAL 13 Cb 0.80 2.25 -0.02 0.00 -2.01 0.00 0.00 31.29 32.31 1mtj h VAL 13 CO 0.05 0.58 -0.08 -0.25 -1.01 0.00 0.00 177.57 176.86 1mtj h TRP 14 N 0.00 0.57 0.00 3.17 2.91 -1.16 -1.94 115.95 119.49 1mtj h TRP 14 Ca -0.01 -0.08 -0.02 0.00 1.13 0.00 0.00 58.89 59.91 1mtj h TRP 14 Cb 1.20 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 29.69 1mtj h TRP 14 CO 0.00 0.60 -0.12 0.00 -1.03 0.00 0.00 178.44 177.90 1mtj h ALA 15 N 1.42 1.78 -0.13 2.65 0.00 -1.19 -0.45 119.26 123.35 1mtj h ALA 15 Ca 0.10 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1mtj h ALA 15 Cb 0.44 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1mtj h ALA 15 CO 0.02 0.15 -0.57 0.87 0.00 0.00 0.00 179.25 179.72 1mtj h LYS 16 N 0.00 0.61 -0.70 0.00 1.79 -1.43 -3.13 116.57 113.70 1mtj h LYS 16 Ca -0.00 -0.49 0.10 0.00 -2.18 0.00 0.00 60.65 58.08 1mtj h LYS 16 Cb 0.21 0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 30.89 1mtj h LYS 16 CO 0.02 1.11 0.34 0.28 -1.08 0.00 0.00 179.45 180.11 1mtj h VAL 17 N 0.26 0.82 0.00 0.50 2.07 -0.81 -2.20 116.25 116.89 1mtj h VAL 17 Ca -0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1mtj h VAL 17 Cb 1.21 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1mtj h VAL 17 CO 0.12 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 177.19 1mtj n GLU 18 N -4.89 0.06 0.27 1.57 1.02 -0.24 -1.21 120.64 117.22 1mtj n GLU 18 Ca 0.11 0.38 0.15 0.00 -0.02 0.00 0.00 57.16 57.78 1mtj n GLU 18 Cb 0.29 -1.64 0.74 0.00 -0.02 0.00 0.00 31.44 30.81 1mtj n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mtj h ALA 19 N 2.30 1.10 -1.39 0.62 0.00 -1.38 -3.36 119.26 117.16 1mtj h ALA 19 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 54.91 54.43 1mtj h ALA 19 Cb 0.21 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.71 1mtj h ALA 19 CO 0.00 0.10 -0.80 -3.47 0.00 0.00 0.00 179.25 175.08 1mtj n ASP 20 N -3.33 -1.46 -0.20 0.00 2.03 -0.35 -5.01 116.55 108.23 1mtj n ASP 20 Ca -0.01 -2.81 -0.09 0.00 0.52 0.00 0.00 54.79 52.40 1mtj n ASP 20 Cb 0.27 0.46 0.02 0.00 -0.72 0.00 0.00 41.12 41.15 1mtj n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mtj h VAL 21 N 3.44 1.25 -0.35 5.18 2.07 -1.70 -2.41 116.25 123.73 1mtj h VAL 21 Ca 0.06 -0.97 -0.13 0.00 0.82 0.00 0.00 66.70 66.48 1mtj h VAL 21 Cb 0.97 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1mtj h VAL 21 CO 0.32 0.35 -0.32 0.00 0.02 0.00 0.00 177.57 177.94 1mtj h ALA 22 N 1.00 0.77 -0.33 1.67 0.00 -1.92 -0.69 119.26 119.75 1mtj h ALA 22 Ca 0.17 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1mtj h ALA 22 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1mtj h ALA 22 CO 0.01 0.65 -0.01 0.78 0.00 0.00 0.00 179.25 180.69 1mtj h GLY 23 N 0.93 0.64 1.01 0.00 0.00 -1.92 -1.84 103.07 101.88 1mtj h GLY 23 Ca 0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1mtj h GLY 23 CO 0.08 0.44 0.14 0.45 0.00 0.00 0.00 176.54 177.64 1mtj h HIS 24 N 0.39 0.97 -0.48 5.60 3.86 -1.32 -2.19 115.15 121.98 1mtj h HIS 24 Ca 0.09 -0.12 0.09 0.00 -1.16 0.00 0.00 60.37 59.28 1mtj h HIS 24 Cb 0.46 -0.27 -0.08 0.00 1.06 0.00 0.00 27.41 28.58 1mtj h HIS 24 CO 0.04 0.83 0.02 0.78 0.86 0.00 0.00 177.93 180.46 1mtj h GLY 25 N 0.83 0.51 0.93 2.45 0.00 -1.02 -0.84 103.07 105.94 1mtj h GLY 25 Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1mtj h GLY 25 CO 0.00 -0.12 -0.20 -1.61 0.00 0.00 0.00 176.54 174.61 1mtj h GLN 26 N 0.14 -0.51 -0.27 4.80 4.15 -1.27 -2.36 115.11 119.79 1mtj h GLN 26 Ca 0.24 0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.75 1mtj h GLN 26 Cb 0.35 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.11 1mtj h GLN 26 CO -0.38 -0.34 -0.06 -0.44 -1.93 0.00 0.00 178.83 175.68 1mtj h ASP 27 N -0.53 -0.24 -0.60 -0.69 3.32 -1.19 -1.05 116.42 115.44 1mtj h ASP 27 Ca -0.04 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1mtj h ASP 27 Cb 0.43 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1mtj h ASP 27 CO 0.05 -0.08 0.38 0.40 -1.72 0.00 0.00 179.24 178.27 1mtj h ILE 28 N 0.01 1.17 -0.00 0.35 2.04 -1.18 -1.14 117.51 118.76 1mtj h ILE 28 Ca 0.13 -0.33 -0.22 0.00 1.00 0.00 0.00 64.86 65.44 1mtj h ILE 28 Cb 0.20 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1mtj h ILE 28 CO -0.28 0.16 -0.93 -0.07 0.00 0.00 0.00 178.15 177.04 1mtj h LEU 29 N 0.82 0.50 -0.62 1.44 3.38 -1.19 0.16 115.31 119.80 1mtj h LEU 29 Ca 0.22 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1mtj h LEU 29 Cb -0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1mtj h LEU 29 CO -0.04 1.20 0.02 0.40 0.09 0.00 0.00 178.44 180.11 1mtj h ILE 30 N 0.22 1.27 -0.58 1.22 2.04 -1.17 -0.17 117.51 120.33 1mtj h ILE 30 Ca -0.07 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 1mtj h ILE 30 Cb 1.57 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1mtj h ILE 30 CO 0.16 0.41 0.36 -0.09 0.00 0.00 0.00 178.15 178.99 1mtj h ARG 31 N 0.98 0.79 -0.03 2.37 9.65 -0.96 0.60 114.38 127.79 1mtj h ARG 31 Ca 0.18 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1mtj h ARG 31 Cb 0.54 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 1mtj h ARG 31 CO 0.03 0.56 -0.07 1.25 2.80 0.00 0.00 179.97 184.54 1mtj h LEU 32 N 0.78 -0.20 -0.74 3.80 5.85 -0.68 -0.90 115.31 123.23 1mtj h LEU 32 Ca 0.21 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.83 1mtj h LEU 32 Cb -0.03 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1mtj h LEU 32 CO -0.04 -0.10 -0.54 -0.26 -0.34 0.00 0.00 178.44 177.16 1mtj h PHE 33 N -0.11 0.32 -0.13 1.25 0.04 -0.75 0.27 116.94 117.83 1mtj h PHE 33 Ca 0.04 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 1mtj h PHE 33 Cb 0.16 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1mtj h PHE 33 CO -0.15 0.74 -0.11 0.87 -0.60 0.00 0.00 178.31 179.05 1mtj h LYS 34 N 0.20 0.31 -0.42 1.51 1.57 -0.65 -2.91 116.57 116.18 1mtj h LYS 34 Ca 0.00 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 1mtj h LYS 34 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1mtj h LYS 34 CO 0.08 0.69 -0.26 0.77 -0.57 0.00 0.00 179.45 180.17 1mtj h SER 35 N -0.07 0.91 -2.25 0.86 0.02 -1.01 -3.38 113.55 108.63 1mtj h SER 35 Ca 0.02 -0.36 -0.58 0.00 -0.84 0.00 0.00 61.79 60.03 1mtj h SER 35 Cb 0.63 -0.25 -0.39 0.00 0.14 0.00 0.00 62.40 62.52 1mtj h SER 35 CO 0.03 1.12 -0.94 1.41 -1.14 0.00 0.00 176.83 177.31 1mtj n HIS 36 N -4.09 0.42 0.08 3.45 8.25 0.07 -4.99 115.22 118.41 1mtj n HIS 36 Ca -0.00 -3.65 0.20 0.00 -0.26 0.00 0.00 57.72 54.01 1mtj n HIS 36 Cb 0.47 -0.22 0.75 0.00 1.12 0.00 0.00 29.99 32.11 1mtj n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mtj h PRO 37 N 4.66 0.00 -0.58 -0.41 0.11 -1.70 -0.18 132.00 133.90 1mtj h PRO 37 Ca 0.16 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.35 1mtj h PRO 37 Cb 0.84 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 1mtj h PRO 37 CO 0.52 0.00 0.39 1.05 -0.21 0.00 0.00 178.00 179.74 1mtj h GLU 38 N 0.00 0.46 0.00 1.05 9.09 -1.93 -2.16 114.58 121.09 1mtj h GLU 38 Ca 0.20 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.57 1mtj h GLU 38 Cb 1.01 -0.10 -0.00 0.00 -1.65 0.00 0.00 28.75 28.00 1mtj h GLU 38 CO -0.00 0.30 -0.07 1.79 0.05 0.00 0.00 179.01 181.09 1mtj h THR 39 N 0.47 0.65 0.00 -1.06 1.35 -1.37 -2.09 112.91 110.87 1mtj h THR 39 Ca 0.26 -0.27 -0.05 0.00 -0.55 0.00 0.00 66.41 65.80 1mtj h THR 39 Cb 0.41 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1mtj h THR 39 CO -0.07 0.07 -0.24 0.25 -0.25 0.00 0.00 175.52 175.28 1mtj h LEU 40 N 0.00 0.00 -2.01 3.87 5.85 -1.56 -1.96 115.31 119.51 1mtj h LEU 40 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1mtj h LEU 40 Cb 0.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1mtj h LEU 40 CO 0.01 0.24 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.93 1mtj h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.51 -0.99 114.58 118.42 1mtj h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1mtj h GLU 41 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1mtj h GLU 41 CO 0.03 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.76 1mtj n LYS 42 N -4.04 0.17 -3.55 2.33 4.76 -0.73 -4.37 118.16 112.73 1mtj n LYS 42 Ca -0.03 0.40 -0.41 0.00 -2.87 0.00 0.00 58.31 55.40 1mtj n LYS 42 Cb 0.17 -1.82 -0.07 0.00 -1.84 0.00 0.00 35.03 31.48 1mtj n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mtj s PHE 43 N -3.27 3.53 0.65 2.13 0.40 -0.37 -4.89 117.98 116.15 1mtj s PHE 43 Ca 0.05 -2.28 0.37 0.00 -0.60 0.00 0.00 56.93 54.47 1mtj s PHE 43 Cb 0.09 -3.48 2.06 0.00 0.51 0.00 0.00 43.02 42.21 1mtj s PHE 43 CO 0.37 -0.93 2.21 -0.44 0.70 0.00 0.00 175.22 177.14 1mtj h ASP 44 N 7.61 0.00 0.50 1.36 3.32 -1.83 0.28 116.42 127.65 1mtj h ASP 44 Ca -0.02 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.79 1mtj h ASP 44 Cb 1.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1mtj h ASP 44 CO 0.76 0.00 -1.03 -0.09 -1.72 0.00 0.00 179.24 177.16 1mtj h ARG 45 N 0.00 0.31 -0.00 3.56 2.43 -1.94 -3.33 114.38 115.42 1mtj h ARG 45 Ca 0.01 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1mtj h ARG 45 Cb 0.24 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1mtj h ARG 45 CO -0.00 1.11 -0.13 1.33 -1.51 0.00 0.00 179.97 180.77 1mtj n VAL 46 N -3.65 0.00 -0.15 0.20 0.24 0.72 -4.73 118.33 110.97 1mtj n VAL 46 Ca -0.06 -0.44 0.05 0.00 -2.04 0.00 0.00 64.34 61.85 1mtj n VAL 46 Cb 0.89 1.02 0.11 0.00 -1.47 0.00 0.00 33.84 34.39 1mtj n VAL 46 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1mtj n LYS 47 N -0.76 -0.03 0.21 7.34 4.81 0.32 -1.43 118.16 128.62 1mtj n LYS 47 Ca 0.01 0.64 0.14 0.00 -0.87 0.00 0.00 58.31 58.23 1mtj n LYS 47 Cb 0.07 -1.01 0.43 0.00 0.02 0.00 0.00 35.03 34.54 1mtj n LYS 47 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 1mtj h HIS 48 N 0.00 0.00 -2.32 5.64 2.07 -1.85 -3.47 115.15 115.22 1mtj h HIS 48 Ca 0.24 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 57.20 1mtj h HIS 48 Cb 0.48 0.00 0.04 0.00 2.57 0.00 0.00 27.41 30.49 1mtj h HIS 48 CO -0.24 0.00 1.05 1.28 -3.07 0.00 0.00 177.93 176.95 1mtj n LEU 49 N -2.82 3.71 -0.08 6.12 4.77 -0.51 -4.92 117.00 123.26 1mtj n LEU 49 Ca 0.03 1.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.90 1mtj n LEU 49 Cb 0.39 -1.48 -0.15 0.00 -2.33 0.00 0.00 43.42 39.85 1mtj n LEU 49 CO 0.29 0.03 -1.04 0.29 -1.33 0.00 0.00 177.39 175.63 1mtj n LYS 50 N 5.56 0.68 -4.46 3.23 5.02 -1.26 -5.01 118.16 121.91 1mtj n LYS 50 Ca 0.19 0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.32 1mtj n LYS 50 Cb 0.34 -1.58 -0.11 0.00 -0.02 0.00 0.00 35.03 33.67 1mtj n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mtj s THR 51 N -2.51 1.44 0.37 -0.18 -4.23 -1.26 -5.03 115.64 104.24 1mtj s THR 51 Ca -0.10 -2.04 0.11 0.00 -1.18 0.00 0.00 61.69 58.48 1mtj s THR 51 Cb 0.07 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 71.31 1mtj s THR 51 CO 0.82 -0.10 1.85 -0.08 -0.54 0.00 0.00 174.62 176.56 1mtj h GLU 52 N 2.13 0.09 -0.64 3.99 4.81 -1.99 -1.42 114.58 121.55 1mtj h GLU 52 Ca -0.41 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.73 1mtj h GLU 52 Cb 1.24 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1mtj h GLU 52 CO 0.70 0.38 0.15 0.00 -0.73 0.00 0.00 179.01 179.51 1mtj h ALA 53 N 1.62 0.85 -0.61 2.92 0.00 -1.99 -0.85 119.26 121.20 1mtj h ALA 53 Ca 0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1mtj h ALA 53 Cb 0.57 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1mtj h ALA 53 CO 0.04 0.57 0.09 0.93 0.00 0.00 0.00 179.25 180.88 1mtj h GLU 54 N 0.95 1.01 -0.64 0.00 5.08 -1.79 -2.47 114.58 116.72 1mtj h GLU 54 Ca 0.20 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1mtj h GLU 54 Cb 0.37 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1mtj h GLU 54 CO 0.00 0.94 0.12 0.52 -1.00 0.00 0.00 179.01 179.58 1mtj h MET 55 N 0.94 1.05 -0.13 2.33 2.86 -0.88 -2.35 114.93 118.76 1mtj h MET 55 Ca 0.19 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1mtj h MET 55 Cb 0.43 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1mtj h MET 55 CO 0.01 0.97 -0.18 0.87 1.06 0.00 0.00 176.91 179.64 1mtj h LYS 56 N 0.96 0.22 0.00 1.72 1.57 -0.98 -2.03 116.57 118.04 1mtj h LYS 56 Ca 0.20 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1mtj h LYS 56 Cb 0.42 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1mtj h LYS 56 CO 0.01 0.41 -0.34 0.00 -0.57 0.00 0.00 179.45 178.96 1mtj n ALA 57 N -2.49 3.02 -2.60 3.86 0.00 -0.95 -4.87 120.51 116.48 1mtj n ALA 57 Ca -0.01 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 1mtj n ALA 57 Cb 0.30 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1mtj n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mtj s SER 58 N -3.25 6.87 0.29 0.00 0.15 -0.76 -4.90 113.70 112.10 1mtj s SER 58 Ca 0.11 1.04 -0.01 0.00 0.70 0.00 0.00 55.95 57.79 1mtj s SER 58 Cb 0.17 -2.54 0.43 0.00 -1.71 0.00 0.00 66.02 62.37 1mtj s SER 58 CO 0.65 -0.94 1.88 -0.08 1.20 0.00 0.00 173.24 175.95 1mtj h GLU 59 N 8.35 0.90 -0.49 5.44 4.57 -1.89 -2.75 114.58 128.70 1mtj h GLU 59 Ca -0.22 -0.13 -0.07 0.00 -1.18 0.00 0.00 59.36 57.76 1mtj h GLU 59 Cb 1.07 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 1mtj h GLU 59 CO 1.04 0.72 0.02 -0.44 -1.18 0.00 0.00 179.01 179.17 1mtj h ASP 60 N 0.89 0.78 -0.69 1.04 3.32 -1.96 -0.97 116.42 118.83 1mtj h ASP 60 Ca 0.21 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1mtj h ASP 60 Cb 0.15 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1mtj h ASP 60 CO -0.02 0.83 0.21 0.25 -1.72 0.00 0.00 179.24 178.79 1mtj h LEU 61 N 0.76 1.00 -0.56 1.55 6.46 -1.85 -1.41 115.31 121.25 1mtj h LEU 61 Ca 0.15 -0.21 -0.14 0.00 -0.12 0.00 0.00 57.88 57.56 1mtj h LEU 61 Cb 0.44 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1mtj h LEU 61 CO 0.02 0.95 -0.35 0.50 -0.62 0.00 0.00 178.44 178.94 1mtj h LYS 62 N 1.01 0.77 -0.25 1.25 3.64 -1.16 -0.30 116.57 121.53 1mtj h LYS 62 Ca 0.22 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1mtj h LYS 62 Cb 0.31 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1mtj h LYS 62 CO -0.01 1.00 0.15 0.87 -2.27 0.00 0.00 179.45 179.19 1mtj h LYS 63 N 0.64 0.33 -0.50 1.90 1.79 -0.95 -1.81 116.57 117.98 1mtj h LYS 63 Ca 0.06 -0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.59 1mtj h LYS 63 Cb 0.89 -0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.40 1mtj h LYS 63 CO 0.08 0.26 0.12 0.45 -1.08 0.00 0.00 179.45 179.28 1mtj h HIS 64 N 0.31 0.19 -0.66 -1.35 3.86 -0.77 -1.35 115.15 115.38 1mtj h HIS 64 Ca 0.09 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.39 1mtj h HIS 64 Cb 0.01 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.42 1mtj h HIS 64 CO -0.05 0.01 0.36 0.78 0.86 0.00 0.00 177.93 179.89 1mtj h GLY 65 N 0.26 0.97 1.04 2.45 0.00 -0.63 -0.29 103.07 106.86 1mtj h GLY 65 Ca 0.25 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1mtj h GLY 65 CO -0.31 0.14 0.07 -2.08 0.00 0.00 0.00 176.54 174.35 1mtj h VAL 66 N 0.66 1.26 -0.30 4.60 2.07 -0.97 -0.98 116.25 122.58 1mtj h VAL 66 Ca 0.30 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1mtj h VAL 66 Cb 0.21 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1mtj h VAL 66 CO -0.19 0.38 0.18 0.74 0.02 0.00 0.00 177.57 178.69 1mtj h THR 67 N 0.89 1.04 -0.29 2.57 2.02 -0.75 -0.61 112.91 117.78 1mtj h THR 67 Ca 0.18 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1mtj h THR 67 Cb 0.46 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1mtj h THR 67 CO 0.02 0.07 0.14 0.58 0.37 0.00 0.00 175.52 176.69 1mtj h VAL 68 N 0.37 1.15 -0.04 3.16 2.07 -0.88 -1.89 116.25 120.18 1mtj h VAL 68 Ca 0.12 -0.43 -0.16 0.00 0.82 0.00 0.00 66.70 67.05 1mtj h VAL 68 Cb -0.00 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1mtj h VAL 68 CO -0.05 0.15 -0.67 -0.07 0.02 0.00 0.00 177.57 176.95 1mtj h LEU 69 N 0.33 0.22 -0.32 2.57 3.38 -1.09 -0.27 115.31 120.14 1mtj h LEU 69 Ca 0.10 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1mtj h LEU 69 Cb 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1mtj h LEU 69 CO -0.01 0.83 -0.09 0.74 0.09 0.00 0.00 178.44 180.00 1mtj h THR 70 N 0.13 1.28 -0.74 0.22 2.02 -1.05 0.30 112.91 115.08 1mtj h THR 70 Ca -0.01 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 1mtj h THR 70 Cb 1.20 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 1mtj h THR 70 CO 0.10 0.37 0.25 0.00 0.37 0.00 0.00 175.52 176.61 1mtj h ALA 71 N 0.79 1.05 -0.35 6.16 0.00 -1.13 -1.96 119.26 123.82 1mtj h ALA 71 Ca 0.08 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1mtj h ALA 71 Cb 0.58 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1mtj h ALA 71 CO 0.03 0.65 -0.43 1.25 0.00 0.00 0.00 179.25 180.76 1mtj h LEU 72 N 1.09 0.97 -0.92 0.00 5.85 -0.81 -2.21 115.31 119.28 1mtj h LEU 72 Ca 0.24 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1mtj h LEU 72 Cb 0.27 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1mtj h LEU 72 CO -0.01 1.25 0.60 1.23 -0.34 0.00 0.00 178.44 181.17 1mtj h GLY 73 N 0.78 1.35 1.84 3.75 0.00 -0.18 -0.21 103.07 110.41 1mtj h GLY 73 Ca 0.05 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1mtj h GLY 73 CO 0.10 0.37 -0.43 0.00 0.00 0.00 0.00 176.54 176.59 1mtj h ALA 74 N 1.39 1.14 -0.12 3.60 0.00 -0.90 -1.61 119.26 122.75 1mtj h ALA 74 Ca 0.37 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1mtj h ALA 74 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1mtj h ALA 74 CO -0.13 0.59 -0.21 0.82 0.00 0.00 0.00 179.25 180.32 1mtj h ILE 75 N 0.15 1.38 -0.42 0.00 2.04 -0.67 -3.03 117.51 116.96 1mtj h ILE 75 Ca 0.01 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.35 1mtj h ILE 75 Cb 0.82 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.94 1mtj h ILE 75 CO 0.06 0.43 0.06 -0.07 0.00 0.00 0.00 178.15 178.63 1mtj h LEU 76 N -0.07 0.60 -0.71 1.44 3.38 -0.85 -1.25 115.31 117.84 1mtj h LEU 76 Ca 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1mtj h LEU 76 Cb 0.79 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1mtj h LEU 76 CO 0.05 0.63 0.00 0.29 0.09 0.00 0.00 178.44 179.50 1mtj n LYS 77 N -4.29 0.19 0.20 1.13 5.02 -0.63 -1.36 118.16 118.44 1mtj n LYS 77 Ca 0.02 0.43 0.14 0.00 -2.02 0.00 0.00 58.31 56.88 1mtj n LYS 77 Cb 0.23 -1.87 0.47 0.00 -0.02 0.00 0.00 35.03 33.83 1mtj n LYS 77 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1mtj h LYS 78 N 0.00 0.00 -6.05 1.97 1.79 -1.10 -3.48 116.57 109.70 1mtj h LYS 78 Ca 0.00 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.05 1mtj h LYS 78 Cb 0.36 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.07 1mtj h LYS 78 CO 0.00 0.00 -0.80 1.63 -1.08 0.00 0.00 179.45 179.20 1mtj n LYS 79 N -2.78 -5.53 0.00 3.15 5.02 -0.46 -1.86 118.16 115.70 1mtj n LYS 79 Ca 0.03 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1mtj n LYS 79 Cb 0.37 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 29.98 1mtj n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mtj n GLY 80 N -1.57 3.43 2.58 0.72 0.00 -1.26 -4.96 105.19 104.13 1mtj n GLY 80 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1mtj n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mtj n HIS 81 N -1.85 2.65 -0.48 1.61 8.25 -0.78 -4.63 115.22 120.00 1mtj n HIS 81 Ca 0.00 -2.73 0.05 0.00 -0.26 0.00 0.00 57.72 54.78 1mtj n HIS 81 Cb 0.00 -1.63 0.11 0.00 1.12 0.00 0.00 29.99 29.59 1mtj n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mtj n HIS 82 N 1.32 0.26 -0.30 4.41 1.44 -1.26 -4.74 115.22 116.35 1mtj n HIS 82 Ca 0.55 -0.69 0.10 0.00 -2.01 0.00 0.00 57.72 55.67 1mtj n HIS 82 Cb 0.26 -0.11 0.27 0.00 0.12 0.00 0.00 29.99 30.53 1mtj n HIS 82 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 1mtj h GLU 83 N 0.74 0.52 -0.42 -1.40 9.09 -2.00 -1.10 114.58 120.02 1mtj h GLU 83 Ca 0.00 -0.03 -0.10 0.00 0.05 0.00 0.00 59.36 59.28 1mtj h GLU 83 Cb 0.83 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.80 1mtj h GLU 83 CO 0.04 0.34 -0.15 0.00 0.05 0.00 0.00 179.01 179.30 1mtj h ALA 84 N 1.63 0.96 0.00 1.06 0.00 -2.00 -2.64 119.26 118.27 1mtj h ALA 84 Ca 0.52 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1mtj h ALA 84 Cb 0.86 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1mtj h ALA 84 CO -0.44 0.61 -0.64 0.93 0.00 0.00 0.00 179.25 179.71 1mtj h GLU 85 N 0.69 0.00 -0.03 0.00 3.07 -1.71 -3.28 114.58 113.32 1mtj h GLU 85 Ca 0.11 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.79 1mtj h GLU 85 Cb 0.63 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1mtj h GLU 85 CO 0.04 0.64 -0.76 -0.07 -1.40 0.00 0.00 179.01 177.46 1mtj h LEU 86 N 0.00 0.30 0.35 1.33 4.07 -0.88 -3.35 115.31 117.13 1mtj h LEU 86 Ca -0.01 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.74 1mtj h LEU 86 Cb 1.17 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 1mtj h LEU 86 CO 0.08 0.95 -0.40 0.11 -1.08 0.00 0.00 178.44 178.11 1mtj h LYS 87 N 0.16 -0.75 -0.10 1.13 1.57 -1.57 0.23 116.57 117.23 1mtj h LYS 87 Ca -0.03 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1mtj h LYS 87 Cb 1.34 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 1mtj h LYS 87 CO 0.12 -0.50 -0.01 -1.00 -0.57 0.00 0.00 179.45 177.49 1mtj h PRO 88 N -0.78 0.14 -0.13 3.15 0.13 -1.77 -1.93 132.00 130.81 1mtj h PRO 88 Ca -0.02 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.96 1mtj h PRO 88 Cb 0.71 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1mtj h PRO 88 CO -0.09 0.17 -0.44 1.25 -0.23 0.00 0.00 178.00 178.65 1mtj h LEU 89 N 0.14 0.61 -0.94 1.56 5.85 -1.57 -2.13 115.31 118.83 1mtj h LEU 89 Ca 0.03 -0.61 -0.05 0.00 0.84 0.00 0.00 57.88 58.09 1mtj h LEU 89 Cb 0.12 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1mtj h LEU 89 CO 0.00 1.11 0.19 0.00 -0.34 0.00 0.00 178.44 179.41 1mtj h ALA 90 N 0.51 1.14 -0.21 1.25 0.00 -0.35 -1.87 119.26 119.73 1mtj h ALA 90 Ca -0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1mtj h ALA 90 Cb 1.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1mtj h ALA 90 CO 0.09 0.59 -0.05 0.37 0.00 0.00 0.00 179.25 180.25 1mtj h GLN 91 N 0.93 0.41 -0.26 0.00 4.15 -1.28 0.18 115.11 119.23 1mtj h GLN 91 Ca 0.21 -0.15 -0.15 0.00 0.77 0.00 0.00 58.65 59.32 1mtj h GLN 91 Cb 0.28 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1mtj h GLN 91 CO -0.01 0.65 -0.44 0.66 -1.93 0.00 0.00 178.83 177.76 1mtj h SER 92 N 0.14 0.70 0.64 -0.69 4.64 -1.32 -1.69 113.55 115.96 1mtj h SER 92 Ca 0.05 -0.33 -0.18 0.00 -0.47 0.00 0.00 61.79 60.87 1mtj h SER 92 Cb 0.50 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1mtj h SER 92 CO 0.02 1.04 -0.80 0.45 -0.87 0.00 0.00 176.83 176.67 1mtj h HIS 93 N 0.52 0.17 -0.24 4.77 3.86 -1.20 0.21 115.15 123.25 1mtj h HIS 93 Ca 0.04 -0.09 -0.13 0.00 -1.16 0.00 0.00 60.37 59.02 1mtj h HIS 93 Cb 0.98 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.43 1mtj h HIS 93 CO 0.05 0.86 -0.38 0.00 0.86 0.00 0.00 177.93 179.32 1mtj h ALA 94 N 1.11 0.37 0.00 2.45 0.00 -0.64 0.18 119.26 122.73 1mtj h ALA 94 Ca -0.02 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.17 1mtj h ALA 94 Cb 1.40 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1mtj h ALA 94 CO 0.11 0.45 -2.04 2.41 0.00 0.00 0.00 179.25 180.18 1mtj n THR 95 N -4.23 1.05 -0.06 0.00 -1.04 -0.64 -4.14 114.28 105.22 1mtj n THR 95 Ca -0.05 -0.48 -0.05 0.00 -2.04 0.00 0.00 64.05 61.43 1mtj n THR 95 Cb 0.52 -0.98 -0.02 0.00 -1.82 0.00 0.00 70.33 68.04 1mtj n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1mtj n LYS 96 N -2.88 0.37 -0.02 -2.82 4.81 -0.33 -4.71 118.16 112.59 1mtj n LYS 96 Ca -0.30 0.27 -0.17 0.00 -0.87 0.00 0.00 58.31 57.24 1mtj n LYS 96 Cb 0.89 -1.30 -0.08 0.00 0.02 0.00 0.00 35.03 34.57 1mtj n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1mtj h HIS 97 N -0.75 0.98 -4.63 5.64 3.86 -1.19 -3.49 115.15 115.57 1mtj h HIS 97 Ca 0.00 -0.44 -0.03 0.00 -1.16 0.00 0.00 60.37 58.74 1mtj h HIS 97 Cb 0.60 -0.15 0.02 0.00 1.06 0.00 0.00 27.41 28.95 1mtj h HIS 97 CO -0.26 1.27 -0.10 1.63 0.86 0.00 0.00 177.93 181.33 1mtj n LYS 98 N -4.01 -1.01 -3.66 2.45 5.02 0.52 -5.01 118.16 112.46 1mtj n LYS 98 Ca -0.08 1.09 -0.39 0.00 -2.02 0.00 0.00 58.31 56.90 1mtj n LYS 98 Cb 0.72 -4.44 -0.12 0.00 -0.02 0.00 0.00 35.03 31.18 1mtj n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1mtj s ILE 99 N -3.04 4.24 0.51 -0.18 -1.09 -0.53 -5.03 121.20 116.07 1mtj s ILE 99 Ca 0.05 -0.98 -0.22 0.00 -2.23 0.00 0.00 60.65 57.27 1mtj s ILE 99 Cb -0.01 -3.38 -0.06 0.00 -1.58 0.00 0.00 42.46 37.43 1mtj s ILE 99 CO 0.51 -0.22 1.29 -2.16 -1.23 0.00 0.00 174.94 173.14 1mtj s PRO 100 N 1.49 3.41 0.46 2.79 0.04 -1.26 -4.80 135.00 137.13 1mtj s PRO 100 Ca 0.00 2.08 0.26 0.00 0.04 0.00 0.00 61.00 63.39 1mtj s PRO 100 Cb -0.19 -2.35 1.30 0.00 0.04 0.00 0.00 34.50 33.30 1mtj s PRO 100 CO 0.05 -0.93 1.81 0.82 0.04 0.00 0.00 177.00 178.79 1mtj h ILE 101 N 1.67 0.51 -0.71 0.56 1.08 -1.97 0.84 117.51 119.49 1mtj h ILE 101 Ca -0.50 -0.07 0.06 0.00 -0.39 0.00 0.00 64.86 63.95 1mtj h ILE 101 Cb 1.28 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 1mtj h ILE 101 CO 0.59 0.04 0.47 0.50 -0.69 0.00 0.00 178.15 179.05 1mtj h LYS 102 N 0.22 0.73 0.00 2.37 1.63 -1.90 -0.90 116.57 118.72 1mtj h LYS 102 Ca 0.55 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 60.19 1mtj h LYS 102 Cb 1.74 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 33.19 1mtj h LYS 102 CO -0.16 0.49 -0.55 1.88 -3.45 0.00 0.00 179.45 177.66 1mtj h TYR 103 N 0.76 0.00 0.00 1.91 -1.99 -1.18 -1.78 116.97 114.69 1mtj h TYR 103 Ca 0.30 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.91 1mtj h TYR 103 Cb 0.23 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 1mtj h TYR 103 CO -0.00 0.55 -0.59 -0.07 -0.00 0.00 0.00 178.16 178.06 1mtj h LEU 104 N 0.00 0.00 -0.32 3.88 3.38 -1.14 -1.84 115.31 119.27 1mtj h LEU 104 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1mtj h LEU 104 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1mtj h LEU 104 CO 0.07 0.59 0.03 -0.33 0.09 0.00 0.00 178.44 178.89 1mtj h GLU 105 N 0.00 0.55 -0.35 1.13 5.08 -0.84 -2.04 114.58 118.12 1mtj h GLU 105 Ca -0.01 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1mtj h GLU 105 Cb 1.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1mtj h GLU 105 CO 0.08 0.66 0.20 0.74 -1.00 0.00 0.00 179.01 179.69 1mtj h PHE 106 N 0.37 0.47 0.00 4.33 0.04 -1.04 -1.45 116.94 119.65 1mtj h PHE 106 Ca 0.10 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.78 1mtj h PHE 106 Cb 0.39 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1mtj h PHE 106 CO 0.03 0.35 -0.38 0.97 -0.60 0.00 0.00 178.31 178.68 1mtj h ILE 107 N 0.45 1.11 -0.58 -0.55 2.10 -1.37 -1.58 117.51 117.08 1mtj h ILE 107 Ca 0.12 -1.38 -0.06 0.00 1.08 0.00 0.00 64.86 64.63 1mtj h ILE 107 Cb 0.03 1.78 -0.03 0.00 -1.09 0.00 0.00 36.82 37.51 1mtj h ILE 107 CO -0.02 0.37 0.12 0.28 -1.08 0.00 0.00 178.15 177.82 1mtj h SER 108 N 0.00 0.87 -0.63 2.19 0.02 -0.58 0.17 113.55 115.59 1mtj h SER 108 Ca -0.00 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.69 1mtj h SER 108 Cb 0.75 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1mtj h SER 108 CO 0.05 0.86 0.07 -0.08 -1.14 0.00 0.00 176.83 176.59 1mtj h GLU 109 N 0.88 1.07 -0.16 3.45 4.81 -0.77 -1.64 114.58 122.21 1mtj h GLU 109 Ca 0.19 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 59.02 1mtj h GLU 109 Cb 0.34 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1mtj h GLU 109 CO 0.00 1.00 -0.34 0.00 -0.73 0.00 0.00 179.01 178.94 1mtj h ALA 110 N 1.07 1.13 -0.03 2.92 0.00 -0.53 -1.53 119.26 122.28 1mtj h ALA 110 Ca 0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1mtj h ALA 110 Cb 0.47 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1mtj h ALA 110 CO 0.02 0.56 -0.03 0.82 0.00 0.00 0.00 179.25 180.62 1mtj h ILE 111 N 0.28 1.37 -0.76 0.00 2.04 -0.54 -1.90 117.51 118.00 1mtj h ILE 111 Ca 0.03 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.80 1mtj h ILE 111 Cb 0.74 2.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 1mtj h ILE 111 CO 0.06 0.30 0.50 0.40 0.00 0.00 0.00 178.15 179.41 1mtj h ILE 112 N -0.36 1.11 -0.33 -0.67 2.04 -1.16 -1.00 117.51 117.15 1mtj h ILE 112 Ca 0.01 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1mtj h ILE 112 Cb 0.51 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1mtj h ILE 112 CO 0.01 0.17 0.01 -0.74 0.00 0.00 0.00 178.15 177.59 1mtj h HIS 113 N 0.92 0.63 -0.16 1.37 2.76 -1.06 -1.29 115.15 118.32 1mtj h HIS 113 Ca 0.30 -0.11 -0.22 0.00 -2.20 0.00 0.00 60.37 58.15 1mtj h HIS 113 Cb 0.05 -0.16 0.01 0.00 1.55 0.00 0.00 27.41 28.86 1mtj h HIS 113 CO -0.00 0.69 -0.76 0.28 -1.30 0.00 0.00 177.93 176.84 1mtj h VAL 114 N 0.38 1.28 -0.72 5.26 2.07 -1.01 -1.28 116.25 122.23 1mtj h VAL 114 Ca 0.09 -1.96 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 1mtj h VAL 114 Cb 0.44 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1mtj h VAL 114 CO 0.02 0.62 0.37 -0.07 0.02 0.00 0.00 177.57 178.53 1mtj h LEU 115 N 0.54 0.92 -0.46 2.57 3.38 -1.12 -0.36 115.31 120.77 1mtj h LEU 115 Ca -0.05 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1mtj h LEU 115 Cb 1.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1mtj h LEU 115 CO 0.16 0.78 0.26 -0.74 0.09 0.00 0.00 178.44 178.98 1mtj h HIS 116 N 1.00 0.48 -0.04 1.13 2.76 -1.16 0.97 115.15 120.29 1mtj h HIS 116 Ca 0.25 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 1mtj h HIS 116 Cb 0.08 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 1mtj h HIS 116 CO 0.00 0.26 -0.00 0.77 -1.30 0.00 0.00 177.93 177.66 1mtj h SER 117 N 0.51 0.07 1.21 3.26 0.02 -0.63 -3.31 113.55 114.68 1mtj h SER 117 Ca 0.19 -0.33 -0.14 0.00 -0.84 0.00 0.00 61.79 60.67 1mtj h SER 117 Cb 0.06 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1mtj h SER 117 CO -0.11 0.38 -0.82 0.03 -1.14 0.00 0.00 176.83 175.17 1mtj h ARG 118 N -0.24 0.00 -1.73 3.45 3.08 -1.02 -3.40 114.38 114.53 1mtj h ARG 118 Ca 0.01 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.53 1mtj h ARG 118 Cb 0.35 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.99 1mtj h ARG 118 CO 0.00 0.52 -0.86 0.72 -1.07 0.00 0.00 179.97 179.28 1mtj n HIS 119 N -3.16 2.68 0.12 3.04 8.25 0.33 -4.94 115.22 121.55 1mtj n HIS 119 Ca -0.02 -3.43 0.05 0.00 -0.26 0.00 0.00 57.72 54.07 1mtj n HIS 119 Cb 0.80 -0.31 0.49 0.00 1.12 0.00 0.00 29.99 32.09 1mtj n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mtj h PRO 120 N 2.84 0.28 0.00 -0.41 0.13 -1.73 -0.27 132.00 132.84 1mtj h PRO 120 Ca 0.14 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.15 1mtj h PRO 120 Cb 0.85 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1mtj h PRO 120 CO 0.72 0.24 -0.46 0.78 -0.23 0.00 0.00 178.00 179.05 1mtj h GLY 121 N 0.41 0.00 -1.85 1.56 0.00 -1.92 -2.85 103.07 98.42 1mtj h GLY 121 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1mtj h GLY 121 CO -0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.23 1mtj n ASN 122 N -3.43 3.45 -2.86 0.19 5.03 -0.30 -4.58 115.26 112.76 1mtj n ASN 122 Ca 0.00 -2.12 -0.15 0.00 0.87 0.00 0.00 54.58 53.19 1mtj n ASN 122 Cb 0.61 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 1mtj n ASN 122 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1mtj n PHE 123 N 0.80 1.10 -0.96 3.10 7.35 -0.27 -4.67 117.46 123.92 1mtj n PHE 123 Ca 0.17 -3.26 -0.08 0.00 -0.76 0.00 0.00 57.45 53.52 1mtj n PHE 123 Cb 0.56 -0.38 0.06 0.00 0.35 0.00 0.00 39.48 40.07 1mtj n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mtj n GLY 124 N 0.03 -1.88 0.16 7.13 0.00 -1.25 -4.65 105.19 104.73 1mtj n GLY 124 Ca 0.18 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.55 1mtj n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mtj h ALA 125 N -2.07 0.45 -0.53 4.61 0.00 -1.98 -0.32 119.26 119.42 1mtj h ALA 125 Ca -0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1mtj h ALA 125 Cb 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1mtj h ALA 125 CO 0.08 -0.14 -0.01 -0.44 0.00 0.00 0.00 179.25 178.74 1mtj h ASP 126 N 0.42 0.88 -0.34 0.00 3.32 -1.99 -0.54 116.42 118.17 1mtj h ASP 126 Ca 0.14 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 1mtj h ASP 126 Cb 0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1mtj h ASP 126 CO -0.07 0.95 -0.21 0.00 -1.72 0.00 0.00 179.24 178.20 1mtj h ALA 127 N 1.14 0.85 -0.42 3.45 0.00 -1.80 -0.94 119.26 121.54 1mtj h ALA 127 Ca 0.15 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1mtj h ALA 127 Cb 0.52 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1mtj h ALA 127 CO 0.03 0.64 -0.18 0.37 0.00 0.00 0.00 179.25 180.11 1mtj h GLN 128 N 0.72 0.81 -0.42 0.00 4.15 -0.90 -0.34 115.11 119.13 1mtj h GLN 128 Ca 0.10 -0.31 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 1mtj h GLN 128 Cb 0.73 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 1mtj h GLN 128 CO 0.06 0.93 0.19 0.78 -1.93 0.00 0.00 178.83 178.85 1mtj h GLY 129 N 0.96 0.65 1.00 2.39 0.00 -0.76 -0.04 103.07 107.27 1mtj h GLY 129 Ca 0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1mtj h GLY 129 CO 0.05 0.32 0.23 0.00 0.00 0.00 0.00 176.54 177.13 1mtj h ALA 130 N 1.04 0.77 -0.38 3.60 0.00 -0.85 -1.15 119.26 122.29 1mtj h ALA 130 Ca 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1mtj h ALA 130 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1mtj h ALA 130 CO -0.02 0.40 0.11 1.98 0.00 0.00 0.00 179.25 181.72 1mtj h MET 131 N 0.82 0.59 -0.97 0.00 -1.53 -0.88 -0.74 114.93 112.22 1mtj h MET 131 Ca 0.20 -0.13 0.04 0.00 -3.44 0.00 0.00 59.70 56.37 1mtj h MET 131 Cb 0.22 -0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 31.13 1mtj h MET 131 CO -0.01 0.61 0.63 -0.97 0.14 0.00 0.00 176.91 177.31 1mtj h ASN 132 N 0.46 1.04 -0.64 1.39 -1.24 -0.90 -0.21 115.58 115.48 1mtj h ASN 132 Ca 0.12 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 1mtj h ASN 132 Cb 0.27 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 1mtj h ASN 132 CO -0.00 0.70 0.32 0.50 -1.29 0.00 0.00 177.43 177.66 1mtj h LYS 133 N 1.21 0.92 -0.47 6.67 3.64 -0.81 0.70 116.57 128.43 1mtj h LYS 133 Ca 0.40 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1mtj h LYS 133 Cb 0.04 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1mtj h LYS 133 CO -0.14 0.73 0.06 0.00 -2.27 0.00 0.00 179.45 177.84 1mtj h ALA 134 N 1.14 0.62 -0.04 5.00 0.00 -0.63 -1.01 119.26 124.34 1mtj h ALA 134 Ca 0.22 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1mtj h ALA 134 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1mtj h ALA 134 CO -0.03 0.36 -0.63 -0.07 0.00 0.00 0.00 179.25 178.88 1mtj h LEU 135 N 0.64 0.20 -0.62 0.00 3.38 -0.92 -1.07 115.31 116.91 1mtj h LEU 135 Ca 0.14 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1mtj h LEU 135 Cb 0.40 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1mtj h LEU 135 CO 0.01 0.78 0.28 -0.33 0.09 0.00 0.00 178.44 179.27 1mtj h GLU 136 N 0.12 0.91 -0.07 1.13 5.08 -0.67 -0.84 114.58 120.24 1mtj h GLU 136 Ca -0.01 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1mtj h GLU 136 Cb 1.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1mtj h GLU 136 CO 0.09 0.74 0.02 1.25 -1.00 0.00 0.00 179.01 180.11 1mtj h LEU 137 N 0.86 0.01 -0.26 1.33 5.85 -0.97 -0.15 115.31 121.97 1mtj h LEU 137 Ca 0.21 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1mtj h LEU 137 Cb 0.15 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 1mtj h LEU 137 CO -0.02 0.02 -0.19 0.15 -0.34 0.00 0.00 178.44 178.06 1mtj h PHE 138 N 0.05 -0.48 -0.32 1.25 3.57 -1.07 -1.47 116.94 118.47 1mtj h PHE 138 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1mtj h PHE 138 Cb 0.02 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1mtj h PHE 138 CO -0.10 -0.26 0.10 0.00 -2.23 0.00 0.00 178.31 175.82 1mtj h ARG 139 N -0.17 0.45 -0.33 1.11 3.08 -0.85 -0.35 114.38 117.33 1mtj h ARG 139 Ca 0.14 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 1mtj h ARG 139 Cb 0.39 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1mtj h ARG 139 CO -0.37 0.40 -0.43 -0.22 -1.07 0.00 0.00 179.97 178.28 1mtj h LYS 140 N 0.45 0.87 -0.19 0.04 3.64 -0.53 -0.48 116.57 120.36 1mtj h LYS 140 Ca 0.11 -0.50 -0.19 0.00 -1.27 0.00 0.00 60.65 58.80 1mtj h LYS 140 Cb 0.14 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1mtj h LYS 140 CO -0.01 1.14 -0.65 -0.44 -2.27 0.00 0.00 179.45 177.22 1mtj h ASP 141 N 0.66 0.81 -0.14 4.20 5.19 -1.01 -1.86 116.42 124.27 1mtj h ASP 141 Ca 0.04 -0.48 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1mtj h ASP 141 Cb 1.03 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 1mtj h ASP 141 CO 0.10 1.25 0.08 0.40 -3.12 0.00 0.00 179.24 177.96 1mtj h ILE 142 N 0.52 1.08 -0.89 0.35 1.08 -1.06 -2.25 117.51 116.34 1mtj h ILE 142 Ca -0.01 -0.21 0.06 0.00 -0.39 0.00 0.00 64.86 64.31 1mtj h ILE 142 Cb 1.24 0.96 -0.06 0.00 -3.07 0.00 0.00 36.82 35.90 1mtj h ILE 142 CO 0.13 0.07 0.58 0.00 -0.69 0.00 0.00 178.15 178.24 1mtj h ALA 143 N 1.00 1.51 -0.58 1.87 0.00 -0.82 0.87 119.26 123.10 1mtj h ALA 143 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1mtj h ALA 143 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1mtj h ALA 143 CO -0.01 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.58 1mtj h ALA 144 N 1.51 0.84 -0.23 0.00 0.00 -1.11 -2.30 119.26 117.97 1mtj h ALA 144 Ca 0.38 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1mtj h ALA 144 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1mtj h ALA 144 CO -0.14 0.67 -0.47 0.87 0.00 0.00 0.00 179.25 180.18 1mtj h LYS 145 N 0.95 0.60 -0.33 0.00 6.56 -0.73 -2.33 116.57 121.29 1mtj h LYS 145 Ca 0.16 -0.34 0.06 0.00 -1.06 0.00 0.00 60.65 59.47 1mtj h LYS 145 Cb 0.59 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.22 1mtj h LYS 145 CO 0.04 0.94 0.02 1.88 -2.06 0.00 0.00 179.45 180.26 1mtj h TYR 146 N 0.48 0.01 -0.50 -1.35 -1.99 -0.58 -1.06 116.97 111.98 1mtj h TYR 146 Ca 0.03 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.84 1mtj h TYR 146 Cb 1.00 0.04 -0.05 0.00 2.00 0.00 0.00 36.73 39.72 1mtj h TYR 146 CO 0.04 -0.04 0.20 -0.22 -0.00 0.00 0.00 178.16 178.15 1mtj h LYS 147 N 0.12 0.39 0.00 4.88 3.64 -1.10 0.21 116.57 124.71 1mtj h LYS 147 Ca 0.16 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1mtj h LYS 147 Cb 0.21 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1mtj h LYS 147 CO -0.25 0.26 -0.10 0.93 -2.27 0.00 0.00 179.45 178.02 1mtj h GLU 148 N 0.40 0.00 -0.01 1.90 5.08 -0.90 -1.75 114.58 119.31 1mtj h GLU 148 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1mtj h GLU 148 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1mtj h GLU 148 CO -0.22 0.10 -0.38 1.28 -1.00 0.00 0.00 179.01 178.79 1mtj n LEU 149 N -4.21 1.05 0.00 1.33 4.77 -0.45 -4.93 117.00 114.56 1mtj n LEU 149 Ca -0.03 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1mtj n LEU 149 Cb 0.18 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1mtj n LEU 149 CO 0.33 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1mtj n GLY 150 N 1.39 0.91 0.44 -0.72 0.00 -0.54 -4.98 105.19 101.69 1mtj n GLY 150 Ca 0.10 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1mtj n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1mtj n TYR 151 N -2.16 0.00 -3.29 1.61 9.36 -0.05 -5.00 117.16 117.64 1mtj n TYR 151 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1mtj n TYR 151 Cb 0.00 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 38.18 1mtj n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1mtj n GLN 152 N -3.93 -0.80 0.00 2.98 0.00 -0.91 -4.88 117.38 109.84 1mtj n GLN 152 Ca -0.26 -0.40 0.15 0.00 -0.00 0.00 0.00 57.00 56.50 1mtj n GLN 152 Cb 0.60 0.71 0.83 0.00 0.00 0.00 0.00 30.24 32.38 1mtj n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47